CID 11989674

Schembl14344394

Structural Information

Molecular Formula
C19H14ClN5
SMILES
CC1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC=N3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H14ClN5/c1-12-11-21-9-7-16(12)23-19-15-6-3-8-22-18(15)24-17(25-19)13-4-2-5-14(20)10-13/h2-11H,1H3,(H,21,22,23,24,25)
InChIKey
NZPVJZFYBXUIKD-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N-(3-methylpyridin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

347.09378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10106 182.5
[M+Na]+ 370.08300 193.0
[M-H]- 346.08650 187.5
[M+NH4]+ 365.12760 191.3
[M+K]+ 386.05694 183.8
[M+H-H2O]+ 330.09104 169.8
[M+HCOO]- 392.09198 196.5
[M+CH3COO]- 406.10763 191.9
[M+Na-2H]- 368.06845 190.5
[M]+ 347.09323 184.1
[M]- 347.09433 184.1
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