CID 3051958

4-((3-methyl-4-phenyl-2(3h)-thiazolylidene)amino)benzeneacetic acid

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
CN1C(=CSC1=NC2=CC=C(C=C2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2S/c1-20-16(14-5-3-2-4-6-14)12-23-18(20)19-15-9-7-13(8-10-15)11-17(21)22/h2-10,12H,11H2,1H3,(H,21,22)
InChIKey
UZKBIUIKGAWPOG-UHFFFAOYSA-N
Compound name
2-[4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09326 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10054 175.0
[M+Na]+ 347.08248 183.8
[M-H]- 323.08598 184.5
[M+NH4]+ 342.12708 189.9
[M+K]+ 363.05642 177.9
[M+H-H2O]+ 307.09052 166.6
[M+HCOO]- 369.09146 194.8
[M+CH3COO]- 383.10711 186.7
[M+Na-2H]- 345.06793 175.4
[M]+ 324.09271 177.9
[M]- 324.09381 177.9
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

No patent data available for this compound.