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]+ 325.100536 175.0
[M+Na]+ 347.082478 183.8
[M-H]- 323.085984 184.5
[M+NH4]+ 342.127083 189.9
[M+K]+ 363.056418 177.9
[M+H-H2O]+ 307.090520 166.6
[M+HCOO]- 369.091461 194.8
[M+CH3COO]- 383.107111 186.7
[M+Na-2H]- 345.067926 175.4
[M]+ 324.09271142 177.9
[M]- 324.09380858 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.