CID 135408757

42754-97-2

Structural Information

Molecular Formula

C₅H₃ClN₄O

SMILES

C1=NNC2=C1C(=O)NC(=N2)Cl

InChI

InChI=1S/C5H3ClN4O/c6-5-8-3-2(1-7-10-3)4(11)9-5/h1H,(H2,7,8,9,10,11)

InChIKey

IHMWOTGINGMVHR-UHFFFAOYSA-N

Compound name

6-chloro-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 169.99954 Da
Monoisotopic Mass: 0.4
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]+	171.00682	128.3
[M+Na]+	192.98876	142.9
[M+NH4]+	188.03336	135.4
[M+K]+	208.96270	139.0
[M-H]-	168.99226	127.1
[M+Na-2H]-	190.97421	134.5
[M]+	169.99899	130.1
[M]-	170.00009	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe