CID 1758

N-(4-aminobutyl)-4-sulfamoylbenzamide

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
C1=CC(=CC=C1C(=O)NCCCCN)S(=O)(=O)N
InChI
InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)
InChIKey
ZDYFRIZTYRFPJC-UHFFFAOYSA-N
Compound name
N-(4-aminobutyl)-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

271.09906 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 159.2
[M+Na]+ 294.08828 164.5
[M-H]- 270.09178 161.4
[M+NH4]+ 289.13288 174.2
[M+K]+ 310.06222 160.6
[M+H-H2O]+ 254.09632 151.8
[M+HCOO]- 316.09726 177.8
[M+CH3COO]- 330.11291 200.6
[M+Na-2H]- 292.07373 161.5
[M]+ 271.09851 158.7
[M]- 271.09961 158.7
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