CID 6918682

478082-99-4

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CN1CCN(CC1)C2=CC=CC3=C2NC=C3S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)17-9-5-8-16-18(14-20-19(16)17)25(23,24)15-6-3-2-4-7-15/h2-9,14,20H,10-13H2,1H3
InChIKey
AOPYPEADLGTXRA-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

43
Patents

355.13544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 181.3
[M+Na]+ 378.12466 195.5
[M+NH4]+ 373.16926 188.7
[M+K]+ 394.09860 188.1
[M-H]- 354.12816 185.3
[M+Na-2H]- 376.11011 189.3
[M]+ 355.13489 185.0
[M]- 355.13599 185.0
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

patents stripe