CID 229723

Sulfaphenylthiazole sodium

Structural Information

Molecular Formula
C15H13N3O2S2
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N3O2S2/c16-12-6-8-13(9-7-12)22(19,20)18-15-17-14(10-21-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKey
PRTJJFWCXPFMPU-UHFFFAOYSA-N
Compound name
4-amino-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.04492 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05220 172.8
[M+Na]+ 354.03414 182.1
[M-H]- 330.03764 181.3
[M+NH4]+ 349.07874 186.9
[M+K]+ 370.00808 174.8
[M+H-H2O]+ 314.04218 165.3
[M+HCOO]- 376.04312 188.0
[M+CH3COO]- 390.05877 183.8
[M+Na-2H]- 352.01959 175.9
[M]+ 331.04437 173.7
[M]- 331.04547 173.7
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