CID 3070039

85633-16-5

Structural Information

Molecular Formula
C20H18Cl2N6O
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)C4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C20H18Cl2N6O/c21-14-6-7-16(22)15(11-14)17-24-19(26-18(29)13-5-4-8-23-12-13)27-20(25-17)28-9-2-1-3-10-28/h4-8,11-12H,1-3,9-10H2,(H,24,25,26,27,29)
InChIKey
AGLXWDGNTVLAMZ-UHFFFAOYSA-N
Compound name
N-[4-(2,5-dichlorophenyl)-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

428.09192 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.09920 197.5
[M+Na]+ 451.08114 204.2
[M-H]- 427.08464 201.4
[M+NH4]+ 446.12574 200.2
[M+K]+ 467.05508 195.3
[M+H-H2O]+ 411.08918 182.8
[M+HCOO]- 473.09012 201.3
[M+CH3COO]- 487.10577 203.4
[M+Na-2H]- 449.06659 199.7
[M]+ 428.09137 195.7
[M]- 428.09247 195.7
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.