CID 13573253

Brn 5652387

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CN(N=C3C4=C2C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C24H21N3O3S/c1-17-8-11-21(12-9-17)31(28,29)27-16-18-15-26(19-6-4-3-5-7-19)25-24(18)22-14-20(30-2)10-13-23(22)27/h3-15H,16H2,1-2H3
InChIKey
OEGLEEJFHYKVDT-UHFFFAOYSA-N
Compound name
8-methoxy-5-(4-methylphenyl)sulfonyl-2-phenyl-4H-pyrazolo[4,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

431.13037 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13765 201.7
[M+Na]+ 454.11959 218.4
[M+NH4]+ 449.16419 209.3
[M+K]+ 470.09353 209.7
[M-H]- 430.12309 207.1
[M+Na-2H]- 452.10504 210.4
[M]+ 431.12982 206.4
[M]- 431.13092 206.4
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

patents stripe