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 196.5
[M+Na]+ 424.10902 206.4
[M-H]- 400.11252 203.3
[M+NH4]+ 419.15362 206.8
[M+K]+ 440.08296 197.9
[M+H-H2O]+ 384.11706 187.1
[M+HCOO]- 446.11800 206.9
[M+CH3COO]- 460.13365 205.3
[M+Na-2H]- 422.09447 199.6
[M]+ 401.11925 197.6
[M]- 401.12035 197.6
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.