CID 70497178

1265634-91-0

Structural Information

Molecular Formula

C₈H₈ClN₃O

SMILES

CN1CC2=C(C=CN=C2NC1=O)Cl

InChI

InChI=1S/C8H8ClN3O/c1-12-4-5-6(9)2-3-10-7(5)11-8(12)13/h2-3H,4H2,1H3,(H,10,11,13)

InChIKey

TXCMDHRGCFZNKH-UHFFFAOYSA-N

Compound name

5-chloro-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 197.03558 Da
Monoisotopic Mass: 0.6
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]+	198.04286	139.6
[M+Na]+	220.02480	150.2
[M-H]-	196.02830	138.7
[M+NH4]+	215.06940	156.4
[M+K]+	235.99874	145.0
[M+H-H2O]+	180.03284	132.5
[M+HCOO]-	242.03378	151.6
[M+CH3COO]-	256.04943	151.5
[M+Na-2H]-	218.01025	146.3
[M]+	197.03503	138.4
[M]-	197.03613	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe