CID 15840036

180637-89-2

Structural Information

Molecular Formula
C22H24N2O2S
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)/C=C/S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/b13-11+/t19-/m1/s1
InChIKey
MJICWWOZPCLNBP-XSSIKURBSA-N
Compound name
5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

380.15585 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16313 191.0
[M+Na]+ 403.14507 203.6
[M+NH4]+ 398.18967 198.2
[M+K]+ 419.11901 197.4
[M-H]- 379.14857 194.7
[M+Na-2H]- 401.13052 197.5
[M]+ 380.15530 194.3
[M]- 380.15640 194.3
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

patents stripe