CID 135417399

4-((4,5-dihydro-4-oxo-2-thiazolyl)amino)-3-methylbenzoic acid

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
CC1=C(C=CC(=C1)C(=O)O)N=C2NC(=O)CS2
InChI
InChI=1S/C11H10N2O3S/c1-6-4-7(10(15)16)2-3-8(6)12-11-13-9(14)5-17-11/h2-4H,5H2,1H3,(H,15,16)(H,12,13,14)
InChIKey
AMEQYOCNGUARJY-UHFFFAOYSA-N
Compound name
3-methyl-4-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.048486 153.9
[M+Na]+ 273.030428 161.7
[M-H]- 249.033934 158.5
[M+NH4]+ 268.075033 171.1
[M+K]+ 289.004368 157.5
[M+H-H2O]+ 233.038470 147.4
[M+HCOO]- 295.039411 170.4
[M+CH3COO]- 309.055061 189.8
[M+Na-2H]- 271.015876 153.2
[M]+ 250.04066142 152.9
[M]- 250.04175858 152.9
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.