CID 5325

Sulfamerazine

Structural Information

Molecular Formula
C11H12N4O2S
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKey
QPPBRPIAZZHUNT-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

641
References

8410
Patents

264.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.075356 156.9
[M+Na]+ 287.057298 166.0
[M-H]- 263.060804 161.2
[M+NH4]+ 282.101903 170.5
[M+K]+ 303.031238 160.8
[M+H-H2O]+ 247.065340 148.6
[M+HCOO]- 309.066281 175.0
[M+CH3COO]- 323.081931 196.8
[M+Na-2H]- 285.042746 163.0
[M]+ 264.06753142 157.2
[M]- 264.06862858 157.2
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