CID 202501

Brn 0624109

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C4=CC=CC=C42)NN=C3
InChI
InChI=1S/C17H15N3O2S/c1-12-6-8-14(9-7-12)23(21,22)20-11-13-10-18-19-17(13)15-4-2-3-5-16(15)20/h2-10H,11H2,1H3,(H,18,19)
InChIKey
WXAIYTOYMDWFHD-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

325.0885 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 173.2
[M+Na]+ 348.07772 187.7
[M+NH4]+ 343.12232 181.1
[M+K]+ 364.05166 180.4
[M-H]- 324.08122 175.8
[M+Na-2H]- 346.06317 179.8
[M]+ 325.08795 176.5
[M]- 325.08905 176.5
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

patents stripe