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]+ 251.04849 153.9
[M+Na]+ 273.03043 161.7
[M-H]- 249.03393 158.5
[M+NH4]+ 268.07503 171.1
[M+K]+ 289.00437 157.5
[M+H-H2O]+ 233.03847 147.4
[M+HCOO]- 295.03941 170.4
[M+CH3COO]- 309.05506 189.8
[M+Na-2H]- 271.01588 153.2
[M]+ 250.04066 152.9
[M]- 250.04176 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.