CID 44248248

1013916-37-4

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: 72
Patents: 263.08255 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.08983	157.1
[M+Na]+	286.07177	172.6
[M+NH4]+	281.11637	165.7
[M+K]+	302.04571	166.4
[M-H]-	262.07527	160.1
[M+Na-2H]-	284.05722	164.0
[M]+	263.08200	160.5
[M]-	263.08310	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe