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 174.7
[M+Na]+ 347.08248 188.6
[M+NH4]+ 342.12708 182.8
[M+K]+ 363.05642 180.7
[M-H]- 323.08598 180.7
[M+Na-2H]- 345.06793 184.1
[M]+ 324.09271 178.9
[M]- 324.09381 178.9
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.