CID 5273071

Chembl4242500

Structural Information

Molecular Formula
C18H15N3O2
SMILES
CC1=CC2=C3C(=CN=C2C=C1)C(=O)N(N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H15N3O2/c1-11-3-8-16-14(9-11)17-15(10-19-16)18(22)21(20-17)12-4-6-13(23-2)7-5-12/h3-10,20H,1-2H3
InChIKey
MBZQXGDKLGYJDW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

305.11642 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 171.6
[M+Na]+ 328.10564 184.3
[M-H]- 304.10914 176.5
[M+NH4]+ 323.15024 186.1
[M+K]+ 344.07958 177.1
[M+H-H2O]+ 288.11368 162.1
[M+HCOO]- 350.11462 191.1
[M+CH3COO]- 364.13027 183.4
[M+Na-2H]- 326.09109 177.2
[M]+ 305.11587 175.4
[M]- 305.11697 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.