CID 5496599

N-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CC[C@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C19H21N3O3S/c1-2-13(15-5-8-18-16(11-15)9-10-21-18)12-22-19(23)14-3-6-17(7-4-14)26(20,24)25/h3-11,13,21H,2,12H2,1H3,(H,22,23)(H2,20,24,25)/t13-/m1/s1
InChIKey
FSRPBGBMEKDSIJ-CYBMUJFWSA-N
Compound name
N-[(2S)-2-(1H-indol-5-yl)butyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.13037 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.137646 186.3
[M+Na]+ 394.119588 192.9
[M-H]- 370.123094 191.2
[M+NH4]+ 389.164193 198.7
[M+K]+ 410.093528 187.0
[M+H-H2O]+ 354.127630 178.8
[M+HCOO]- 416.128571 202.1
[M+CH3COO]- 430.144221 215.4
[M+Na-2H]- 392.105036 188.5
[M]+ 371.12982142 188.1
[M]- 371.13091858 188.1
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.