CID 10237482

Schembl5194094

Structural Information

Molecular Formula
C18H16N2O4S2
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=N2)C3=CC=CC=C3)C(=O)O)C
InChI
InChI=1S/C18H16N2O4S2/c1-11-8-9-14(12(2)10-11)26(23,24)20-16-15(18(21)22)25-17(19-16)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,21,22)
InChIKey
KSEZIVHEIRLWIV-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethylphenyl)sulfonylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

388.05515 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06243 188.8
[M+Na]+ 411.04437 197.5
[M-H]- 387.04787 196.6
[M+NH4]+ 406.08897 200.4
[M+K]+ 427.01831 190.8
[M+H-H2O]+ 371.05241 181.6
[M+HCOO]- 433.05335 200.5
[M+CH3COO]- 447.06900 214.9
[M+Na-2H]- 409.02982 188.6
[M]+ 388.05460 192.7
[M]- 388.05570 192.7
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