| SpectraBase Spectrum ID |
D4XPB8BLY2v |
| Name |
N-[2-[[2-(Dimethylamino)-5-fluoranyl-phenyl]-(pyridin-2-ylamino)methyl]-4-fluoranyl-phenyl]-N-methyl-methanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.176167669 u |
| Formula |
C22H22F2N4O |
| InChI |
InChI=1S/C22H22F2N4O/c1-27(2)19-9-7-15(23)12-17(19)22(26-21-6-4-5-11-25-21)18-13-16(24)8-10-20(18)28(3)14-29/h4-14,22H,1-3H3,(H,25,26) |
| InChIKey |
UMJJANXHVRNDED-UHFFFAOYSA-N |
| Molecular Weight |
396.442 g/mol |
| SMILES |
C1(C(C=2C(N(C=O)C)=CC=C(C2)F)NC=2N=CC=CC2)=C(C=CC(=C1)F)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89284 |
![N-[2-[[2-(dimethylamino)-5-fluoranyl-phenyl]-(pyridin-2-ylamino)methyl]-4-fluoranyl-phenyl]-N-methyl-methanamide](/api/spectrum/D4XPB8BLY2v/structure.png?h=300&w=458 "N-[2-[[2-(dimethylamino)-5-fluoranyl-phenyl]-(pyridin-2-ylamino)methyl]-4-fluoranyl-phenyl]-N-methyl-methanamide")
