CID 3070035

3-pyridinecarboxamide, n-(4-(2-chlorophenyl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C19H17ClN6O2
SMILES
C1COCCN1C2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H17ClN6O2/c20-15-6-2-1-5-14(15)16-22-18(24-17(27)13-4-3-7-21-12-13)25-19(23-16)26-8-10-28-11-9-26/h1-7,12H,8-11H2,(H,22,23,24,25,27)
InChIKey
CBGXSCSSKFUPDN-UHFFFAOYSA-N
Compound name
N-[4-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.11014 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.117416 193.2
[M+Na]+ 419.099358 199.4
[M-H]- 395.102864 198.7
[M+NH4]+ 414.143963 195.1
[M+K]+ 435.073298 192.8
[M+H-H2O]+ 379.107400 178.5
[M+HCOO]- 441.108341 201.7
[M+CH3COO]- 455.123991 199.9
[M+Na-2H]- 417.084806 197.6
[M]+ 396.10959142 191.2
[M]- 396.11068858 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.