CID 902634

Brn 0020178

Structural Information

Molecular Formula

C₁₁H₁₀N₄O

SMILES

CN1C2=C(C(=O)N1C3=CC=CC=C3)NN=C2

InChI

InChI=1S/C11H10N4O/c1-14-9-7-12-13-10(9)11(16)15(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)

InChIKey

VVBNSRFXJMAVFH-UHFFFAOYSA-N

Compound name

4-methyl-5-phenyl-1H-pyrazolo[4,3-c]pyrazol-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.08546 Da
Monoisotopic Mass: 1.7
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]+	215.09274	144.8
[M+Na]+	237.07468	157.6
[M-H]-	213.07818	147.7
[M+NH4]+	232.11928	162.4
[M+K]+	253.04862	152.5
[M+H-H2O]+	197.08272	136.4
[M+HCOO]-	259.08366	166.6
[M+CH3COO]-	273.09931	158.2
[M+Na-2H]-	235.06013	149.7
[M]+	214.08491	146.9
[M]-	214.08601	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.