CID 3070034

85633-11-0

Structural Information

Molecular Formula
C20H19ClN6O
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H19ClN6O/c21-16-9-3-2-8-15(16)17-23-19(25-18(28)14-7-6-10-22-13-14)26-20(24-17)27-11-4-1-5-12-27/h2-3,6-10,13H,1,4-5,11-12H2,(H,23,24,25,26,28)
InChIKey
ULEHFCOPOKVHFM-UHFFFAOYSA-N
Compound name
N-[4-(2-chlorophenyl)-6-piperidin-1-yl-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1309 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13818 193.0
[M+Na]+ 417.12012 198.7
[M-H]- 393.12362 197.5
[M+NH4]+ 412.16472 196.3
[M+K]+ 433.09406 190.2
[M+H-H2O]+ 377.12816 178.3
[M+HCOO]- 439.12910 201.9
[M+CH3COO]- 453.14475 199.4
[M+Na-2H]- 415.10557 196.8
[M]+ 394.13035 189.4
[M]- 394.13145 189.4
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.