CID 737203

90019-55-9

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C13H11N3O/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h2-8,15H,1H3

InChIKey

ABYPHBKOHUMAEP-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 29
Patents: 225.09021 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]+	226.09749	148.4
[M+Na]+	248.07943	164.9
[M+NH4]+	243.12403	156.5
[M+K]+	264.05337	159.0
[M-H]-	224.08293	151.3
[M+Na-2H]-	246.06488	157.5
[M]+	225.08966	151.6
[M]-	225.09076	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe