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]+ 372.13765 186.3
[M+Na]+ 394.11959 192.9
[M-H]- 370.12309 191.2
[M+NH4]+ 389.16419 198.7
[M+K]+ 410.09353 187.0
[M+H-H2O]+ 354.12763 178.8
[M+HCOO]- 416.12857 202.1
[M+CH3COO]- 430.14422 215.4
[M+Na-2H]- 392.10504 188.5
[M]+ 371.12982 188.1
[M]- 371.13092 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.