CID 3077678

135131-00-9

Structural Information

Molecular Formula

C₁₁H₁₀N₄O

SMILES

C1C2C(=O)NN=CN2N=C1C3=CC=CC=C3

InChI

InChI=1S/C11H10N4O/c16-11-10-6-9(8-4-2-1-3-5-8)14-15(10)7-12-13-11/h1-5,7,10H,6H2,(H,13,16)

InChIKey

RQXGKWUWGBBMOI-UHFFFAOYSA-N

Compound name

2-phenyl-3a,5-dihydro-3H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 214.08546 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]+	215.09274	147.3
[M+Na]+	237.07468	156.2
[M-H]-	213.07818	148.2
[M+NH4]+	232.11928	162.2
[M+K]+	253.04862	151.1
[M+H-H2O]+	197.08272	137.7
[M+HCOO]-	259.08366	163.9
[M+CH3COO]-	273.09931	158.4
[M+Na-2H]-	235.06013	152.9
[M]+	214.08491	143.7
[M]-	214.08601	143.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.