CID 363314

Nsc628134

Structural Information

Molecular Formula
C24H24N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H24N2O3S/c1-17-7-13-20(14-8-17)30(27,28)25-16-15-22-21-5-3-4-6-23(21)26-24(22)18-9-11-19(29-2)12-10-18/h3-14,25-26H,15-16H2,1-2H3
InChIKey
WIWFZAFGANEVLX-UHFFFAOYSA-N
Compound name
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.15076 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15804 201.3
[M+Na]+ 443.13998 210.1
[M-H]- 419.14348 210.2
[M+NH4]+ 438.18458 212.5
[M+K]+ 459.11392 202.6
[M+H-H2O]+ 403.14802 192.6
[M+HCOO]- 465.14896 218.2
[M+CH3COO]- 479.16461 210.9
[M+Na-2H]- 441.12543 204.1
[M]+ 420.15021 206.4
[M]- 420.15131 206.4
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.