CID 11989322

Schembl14344376

Structural Information

Molecular Formula
C18H12ClN5
SMILES
C1=CC(=CC(=C1)Cl)C2=NC3=C(C=CC=N3)C(=N2)NC4=CC=NC=C4
InChI
InChI=1S/C18H12ClN5/c19-13-4-1-3-12(11-13)16-23-17-15(5-2-8-21-17)18(24-16)22-14-6-9-20-10-7-14/h1-11H,(H,20,21,22,23,24)
InChIKey
TVAVRZKBIMRQPV-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

333.07812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08540 176.6
[M+Na]+ 356.06734 186.7
[M-H]- 332.07084 181.4
[M+NH4]+ 351.11194 185.6
[M+K]+ 372.04128 177.6
[M+H-H2O]+ 316.07538 163.9
[M+HCOO]- 378.07632 191.0
[M+CH3COO]- 392.09197 186.2
[M+Na-2H]- 354.05279 186.1
[M]+ 333.07757 177.5
[M]- 333.07867 177.5
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

patents stripe