CID 3054823

71795-38-5

Structural Information

Molecular Formula
C15H16N4O3S
SMILES
CC1=CN=C(N1CC#C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C15H16N4O3S/c1-4-9-19-11(2)10-16-15(19)18-23(21,22)14-7-5-13(6-8-14)17-12(3)20/h1,5-8,10H,9H2,2-3H3,(H,16,18)(H,17,20)
InChIKey
RZBRNAZPFUFHME-UHFFFAOYSA-N
Compound name
N-[4-[(5-methyl-1-prop-2-ynylimidazol-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10158 185.5
[M+Na]+ 355.08352 195.0
[M-H]- 331.08702 187.9
[M+NH4]+ 350.12812 196.4
[M+K]+ 371.05746 190.0
[M+H-H2O]+ 315.09156 170.8
[M+HCOO]- 377.09250 197.0
[M+CH3COO]- 391.10815 215.3
[M+Na-2H]- 353.06897 184.6
[M]+ 332.09375 182.4
[M]- 332.09485 182.4
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.