CID 13573251

Brn 5647609

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CN(N=C3C4=C2C=C(C=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)22-13-10-20(30-2)14-23(22)27/h3-15H,16H2,1-2H3
InChIKey
RFJUMOZIAVXXBM-UHFFFAOYSA-N
Compound name
7-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 205.6
[M+Na]+ 454.11959 215.8
[M-H]- 430.12309 213.8
[M+NH4]+ 449.16419 215.4
[M+K]+ 470.09353 208.7
[M+H-H2O]+ 414.12763 195.5
[M+HCOO]- 476.12857 217.1
[M+CH3COO]- 490.14422 214.5
[M+Na-2H]- 452.10504 207.9
[M]+ 431.12982 210.2
[M]- 431.13092 210.2
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