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]+ 397.11742 192.2
[M+Na]+ 419.09936 208.7
[M+NH4]+ 414.14396 197.9
[M+K]+ 435.07330 201.1
[M-H]- 395.10286 199.2
[M+Na-2H]- 417.08481 202.6
[M]+ 396.10959 196.8
[M]- 396.11069 196.8
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.