CID 10287131

Schembl5194973

Structural Information

Molecular Formula
C17H14N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H14N2O4S2/c1-11-7-9-13(10-8-11)25(22,23)19-15-14(17(20)21)24-16(18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,20,21)
InChIKey
KRVOBINUTLQWLC-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)sulfonylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.0395 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.04678 184.7
[M+Na]+ 397.02872 193.2
[M-H]- 373.03222 192.4
[M+NH4]+ 392.07332 196.7
[M+K]+ 413.00266 186.7
[M+H-H2O]+ 357.03676 177.5
[M+HCOO]- 419.03770 196.9
[M+CH3COO]- 433.05335 210.8
[M+Na-2H]- 395.01417 185.6
[M]+ 374.03895 187.9
[M]- 374.04005 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe