CID 135408780

6288-99-9

Structural Information

Molecular Formula

C₁₁H₇ClN₄O

SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC(=N3)Cl

InChI

InChI=1S/C11H7ClN4O/c12-11-14-9-8(10(17)15-11)6-13-16(9)7-4-2-1-3-5-7/h1-6H,(H,14,15,17)

InChIKey

GMXPVUMJGVSVLG-UHFFFAOYSA-N

Compound name

6-chloro-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 246.03084 Da
Monoisotopic Mass: 2.1
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]+	247.03812	149.7
[M+Na]+	269.02006	167.1
[M+NH4]+	264.06466	157.5
[M+K]+	284.99400	161.1
[M-H]-	245.02356	151.9
[M+Na-2H]-	267.00551	158.8
[M]+	246.03029	153.1
[M]-	246.03139	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe