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

76
Patents

263.08255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.089826 158.9
[M+Na]+ 286.071768 169.9
[M-H]- 262.075274 162.6
[M+NH4]+ 281.116373 175.4
[M+K]+ 302.045708 163.8
[M+H-H2O]+ 246.079810 150.1
[M+HCOO]- 308.080751 172.8
[M+CH3COO]- 322.096401 170.8
[M+Na-2H]- 284.057216 161.8
[M]+ 263.08200142 160.0
[M]- 263.08309858 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

literature stripe

Patent stripe

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