CID 285630

Nsc142656

Structural Information

Molecular Formula
C14H21N3O4S
SMILES
CC(C)CCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C14H21N3O4S/c1-10(2)8-9-15-14(19)17-22(20,21)13-6-4-12(5-7-13)16-11(3)18/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H2,15,17,19)
InChIKey
KEWFGZIVHPGASN-UHFFFAOYSA-N
Compound name
N-[4-(3-methylbutylcarbamoylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

327.12527 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13255 175.0
[M+Na]+ 350.11449 178.5
[M-H]- 326.11799 177.8
[M+NH4]+ 345.15909 188.0
[M+K]+ 366.08843 176.0
[M+H-H2O]+ 310.12253 167.2
[M+HCOO]- 372.12347 192.2
[M+CH3COO]- 386.13912 212.5
[M+Na-2H]- 348.09994 176.1
[M]+ 327.12472 176.9
[M]- 327.12582 176.9
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.