CID 67181

127-73-1

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H,16,18)(H,14,15,17)
InChIKey
PHFJZKMLXDFUNB-UHFFFAOYSA-N
Compound name
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

186
Patents

306.07867 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 166.9
[M+Na]+ 329.06789 178.0
[M+NH4]+ 324.11249 172.3
[M+K]+ 345.04183 171.7
[M-H]- 305.07139 169.0
[M+Na-2H]- 327.05334 174.2
[M]+ 306.07812 169.3
[M]- 306.07922 169.3
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