CID 5215

Sulfadiazine

Structural Information

Molecular Formula
C10H10N4O2S
SMILES
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKey
SEEPANYCNGTZFQ-UHFFFAOYSA-N
Compound name
4-amino-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4966
References

88720
Patents

250.05244 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.059716 151.9
[M+Na]+ 273.041658 160.6
[M-H]- 249.045164 156.0
[M+NH4]+ 268.086263 165.7
[M+K]+ 289.015598 155.6
[M+H-H2O]+ 233.049700 143.5
[M+HCOO]- 295.050641 170.4
[M+CH3COO]- 309.066291 192.6
[M+Na-2H]- 271.027106 159.3
[M]+ 250.05189142 151.5
[M]- 250.05298858 151.5
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