CID 3054826

71795-41-0

Structural Information

Molecular Formula
C15H20N4O3S
SMILES
CCCCN1C=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C15H20N4O3S/c1-3-4-10-19-11-9-16-15(19)18-23(21,22)14-7-5-13(6-8-14)17-12(2)20/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)(H,17,20)
InChIKey
IQVGQGZTBRDSHI-UHFFFAOYSA-N
Compound name
N-[4-[(1-butylimidazol-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13288 178.0
[M+Na]+ 359.11482 184.9
[M-H]- 335.11832 182.5
[M+NH4]+ 354.15942 190.6
[M+K]+ 375.08876 180.5
[M+H-H2O]+ 319.12286 169.5
[M+HCOO]- 381.12380 195.7
[M+CH3COO]- 395.13945 210.6
[M+Na-2H]- 357.10027 180.0
[M]+ 336.12505 181.7
[M]- 336.12615 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.