CID 3070033

3-pyridinecarboxamide, n-(4-(4-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=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN6O2/c20-15-5-3-13(4-6-15)16-22-18(24-17(27)14-2-1-7-21-12-14)25-19(23-16)26-8-10-28-11-9-26/h1-7,12H,8-11H2,(H,22,23,24,25,27)
InChIKey
HAPHLJQDHZDXJA-UHFFFAOYSA-N
Compound name
N-[4-(4-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 193.2
[M+Na]+ 419.09936 199.4
[M-H]- 395.10286 198.7
[M+NH4]+ 414.14396 195.1
[M+K]+ 435.07330 192.8
[M+H-H2O]+ 379.10740 178.5
[M+HCOO]- 441.10834 201.7
[M+CH3COO]- 455.12399 199.9
[M+Na-2H]- 417.08481 197.6
[M]+ 396.10959 191.2
[M]- 396.11069 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.