CID 13573268

Brn 5657576

Structural Information

Molecular Formula
C25H21N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(N(N=C3C4=CC=CC=C42)C(=O)C)C5=CC=CC=C5
InChI
InChI=1S/C25H21N3O3S/c1-17-12-14-20(15-13-17)32(30,31)27-16-22-24(21-10-6-7-11-23(21)27)26-28(18(2)29)25(22)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3
InChIKey
SQNKQWDDDQDAHG-UHFFFAOYSA-N
Compound name
1-[5-(4-methylphenyl)sulfonyl-3-phenyl-4H-pyrazolo[4,3-c]quinolin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.13037 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.13765 208.8
[M+Na]+ 466.11959 218.4
[M-H]- 442.12309 217.0
[M+NH4]+ 461.16419 217.9
[M+K]+ 482.09353 211.2
[M+H-H2O]+ 426.12763 198.9
[M+HCOO]- 488.12857 219.1
[M+CH3COO]- 502.14422 217.2
[M+Na-2H]- 464.10504 209.8
[M]+ 443.12982 212.5
[M]- 443.13092 212.5
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.