CID 64952

N4-acetylsulfadiazine

Structural Information

Molecular Formula
C12H12N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
InChI
InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
InChIKey
NJIZUWGMNCUKGU-UHFFFAOYSA-N
Compound name
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

19
Patents

292.06302 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07030 163.0
[M+Na]+ 315.05224 170.5
[M-H]- 291.05574 167.4
[M+NH4]+ 310.09684 175.1
[M+K]+ 331.02618 166.1
[M+H-H2O]+ 275.06028 154.2
[M+HCOO]- 337.06122 180.9
[M+CH3COO]- 351.07687 200.7
[M+Na-2H]- 313.03769 169.6
[M]+ 292.06247 164.2
[M]- 292.06357 164.2
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