CID 446276

(r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
C[C@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N)CN2C=CC3=CC=CC=C32
InChI
InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m1/s1
InChIKey
ZFWHOUCRVSOZJE-CQSZACIVSA-N
Compound name
N-[(2R)-3-indol-1-yl-2-methylpropyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

371.13037 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 187.0
[M+Na]+ 394.11959 194.1
[M-H]- 370.12309 193.3
[M+NH4]+ 389.16419 200.2
[M+K]+ 410.09353 188.9
[M+H-H2O]+ 354.12763 179.2
[M+HCOO]- 416.12857 204.3
[M+CH3COO]- 430.14422 217.6
[M+Na-2H]- 392.10504 189.5
[M]+ 371.12982 190.6
[M]- 371.13092 190.6
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