CID 737203

65774-92-7

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: 34
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]+	226.097486	148.3
[M+Na]+	248.079428	160.5
[M-H]-	224.082934	152.0
[M+NH4]+	243.124033	165.0
[M+K]+	264.053368	154.4
[M+H-H2O]+	208.087470	139.8
[M+HCOO]-	270.088411	169.9
[M+CH3COO]-	284.104061	161.4
[M+Na-2H]-	246.064876	155.4
[M]+	225.08966142	149.6
[M]-	225.09075858	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe