CID 135512367

2-methylpyrazolo[1,5-a]quinazolin-5(4h)-one

Structural Information

Molecular Formula

C₁₁H₉N₃O

SMILES

CC1=NN2C3=CC=CC=C3C(=O)NC2=C1

InChI

InChI=1S/C11H9N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h2-6H,1H3,(H,12,15)

InChIKey

RFGCWJZOFBNOEK-UHFFFAOYSA-N

Compound name

2-methyl-4H-pyrazolo[1,5-a]quinazolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 8
Patents: 199.07455 Da
Monoisotopic Mass: 1.5
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]+	200.08183	140.6
[M+Na]+	222.06377	156.6
[M+NH4]+	217.10837	149.2
[M+K]+	238.03771	151.1
[M-H]-	198.06727	142.0
[M+Na-2H]-	220.04922	147.5
[M]+	199.07400	143.3
[M]-	199.07510	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe