CID 44248248

2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8h)-one

Structural Information

Molecular Formula
C13H14ClN3O
SMILES
CC1=CC(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3
InChI
InChI=1S/C13H14ClN3O/c1-8-6-11(18)17(9-4-2-3-5-9)12-10(8)7-15-13(14)16-12/h6-7,9H,2-5H2,1H3
InChIKey
BSKNQSYIDZUXQT-UHFFFAOYSA-N
Compound name
2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

263.08255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08983 158.9
[M+Na]+ 286.07177 169.9
[M-H]- 262.07527 162.6
[M+NH4]+ 281.11637 175.4
[M+K]+ 302.04571 163.8
[M+H-H2O]+ 246.07981 150.1
[M+HCOO]- 308.08075 172.8
[M+CH3COO]- 322.09640 170.8
[M+Na-2H]- 284.05722 161.8
[M]+ 263.08200 160.0
[M]- 263.08310 160.0
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.