CID 66855

100-90-3

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C
InChI
InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKey
LJKAKWDUZRJNPJ-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

53
Patents

320.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10158 172.5
[M+Na]+ 343.08352 180.7
[M-H]- 319.08702 177.3
[M+NH4]+ 338.12812 184.0
[M+K]+ 359.05746 176.0
[M+H-H2O]+ 303.09156 163.7
[M+HCOO]- 365.09250 189.6
[M+CH3COO]- 379.10815 209.2
[M+Na-2H]- 341.06897 176.7
[M]+ 320.09375 175.2
[M]- 320.09485 175.2
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