CID 3051959

4-((3-ethyl-4-(4-methylphenyl)-2(3h)-thiazolylidene)amino)benzeneacetic acid

Structural Information

Molecular Formula
C20H20N2O2S
SMILES
CCN1C(=CSC1=NC2=CC=C(C=C2)CC(=O)O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2O2S/c1-3-22-18(16-8-4-14(2)5-9-16)13-25-20(22)21-17-10-6-15(7-11-17)12-19(23)24/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKey
OGDHSYRBJJOULP-UHFFFAOYSA-N
Compound name
2-[4-[[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.12454 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13182 183.8
[M+Na]+ 375.11376 192.4
[M-H]- 351.11726 193.2
[M+NH4]+ 370.15836 197.8
[M+K]+ 391.08770 186.2
[M+H-H2O]+ 335.12180 175.2
[M+HCOO]- 397.12274 202.9
[M+CH3COO]- 411.13839 214.2
[M+Na-2H]- 373.09921 182.5
[M]+ 352.12399 187.7
[M]- 352.12509 187.7
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

No patent data available for this compound.