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

literature stripe

Patent stripe

patents stripe