CID 13573262

Brn 5637045

Structural Information

Molecular Formula
C23H19N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C4=CC=CC=C42)NN=C3C5=CC=CC=C5
InChI
InChI=1S/C23H19N3O2S/c1-16-11-13-18(14-12-16)29(27,28)26-15-20-22(17-7-3-2-4-8-17)24-25-23(20)19-9-5-6-10-21(19)26/h2-14H,15H2,1H3,(H,24,25)
InChIKey
YZVTXHKAEFGHFD-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)sulfonyl-3-phenyl-1,4-dihydropyrazolo[4,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12708 193.4
[M+Na]+ 424.10902 210.0
[M+NH4]+ 419.15362 201.4
[M+K]+ 440.08296 201.1
[M-H]- 400.11252 198.7
[M+Na-2H]- 422.09447 202.4
[M]+ 401.11925 198.0
[M]- 401.12035 198.0
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

No patent data available for this compound.