CID 9864718

152459-94-4

Structural Information

Molecular Formula
C23H19N5O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C23H19N5O/c1-16-9-10-19(26-22(29)17-6-3-2-4-7-17)14-21(16)28-23-25-13-11-20(27-23)18-8-5-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)
InChIKey
UOEJSOXEHKCNAE-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

182
Patents

381.15897 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16625 192.1
[M+Na]+ 404.14819 198.0
[M-H]- 380.15169 200.5
[M+NH4]+ 399.19279 197.7
[M+K]+ 420.12213 190.2
[M+H-H2O]+ 364.15623 178.6
[M+HCOO]- 426.15717 212.8
[M+CH3COO]- 440.17282 200.3
[M+Na-2H]- 402.13364 198.6
[M]+ 381.15842 189.9
[M]- 381.15952 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe