CID 53374963

1333126-80-9

Structural Information

Molecular Formula
C23H22ClN5O2
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)C(=N)C)C(=O)NC3=NC=C(C=C3)Cl
InChI
InChI=1S/C23H22ClN5O2/c1-14-4-10-20(19(12-14)23(31)28-21-11-7-17(24)13-26-21)27-22(30)16-5-8-18(9-6-16)29(3)15(2)25/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
InChIKey
PKOXXIZJSVHLKU-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-2-yl)-2-[[4-[ethanimidoyl(methyl)amino]benzoyl]amino]-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

435.1462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.15348 205.6
[M+Na]+ 458.13542 217.8
[M+NH4]+ 453.18002 211.0
[M+K]+ 474.10936 210.9
[M-H]- 434.13892 212.5
[M+Na-2H]- 456.12087 214.3
[M]+ 435.14565 209.3
[M]- 435.14675 209.3
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