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

11
Patents

431.13037 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.137646 205.6
[M+Na]+ 454.119588 215.8
[M-H]- 430.123094 213.8
[M+NH4]+ 449.164193 215.4
[M+K]+ 470.093528 208.7
[M+H-H2O]+ 414.127630 195.5
[M+HCOO]- 476.128571 217.1
[M+CH3COO]- 490.144221 214.5
[M+Na-2H]- 452.105036 207.9
[M]+ 431.12982142 210.2
[M]- 431.13091858 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