CID 5273070

77779-90-9

Structural Information

Molecular Formula

C₁₇H₁₃N₃O

SMILES

CC1=CC2=C3C(=CN=C2C=C1)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3O/c1-11-7-8-15-13(9-11)16-14(10-18-15)17(21)20(19-16)12-5-3-2-4-6-12/h2-10,19H,1H3

InChIKey

HSAXCHHARCKWQB-UHFFFAOYSA-N

Compound name

8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 275.10587 Da
Monoisotopic Mass: 3.5
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]+	276.11315	163.2
[M+Na]+	298.09509	175.7
[M-H]-	274.09859	167.9
[M+NH4]+	293.13969	178.8
[M+K]+	314.06903	168.0
[M+H-H2O]+	258.10313	153.9
[M+HCOO]-	320.10407	183.0
[M+CH3COO]-	334.11972	175.4
[M+Na-2H]-	296.08054	170.1
[M]+	275.10532	165.0
[M]-	275.10642	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe