CID 4327

N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide

Structural Information

Molecular Formula
C22H18N6O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28)
InChIKey
YWQVBESSYLICRX-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

57
Patents

382.1542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16148 192.0
[M+Na]+ 405.14342 198.4
[M-H]- 381.14692 199.2
[M+NH4]+ 400.18802 196.2
[M+K]+ 421.11736 190.3
[M+H-H2O]+ 365.15146 178.0
[M+HCOO]- 427.15240 211.6
[M+CH3COO]- 441.16805 199.8
[M+Na-2H]- 403.12887 199.3
[M]+ 382.15365 189.9
[M]- 382.15475 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