CID 3080191

Benzoic acid, 2-((4,5-dihydro-2-thiazolyl)amino)-5-methyl-

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CC1=CC(=C(C=C1)NC2=NCCS2)C(=O)O
InChI
InChI=1S/C11H12N2O2S/c1-7-2-3-9(8(6-7)10(14)15)13-11-12-4-5-16-11/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKey
XJHLTHQFSYYYRJ-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 151.4
[M+Na]+ 259.05117 161.8
[M+NH4]+ 254.09577 159.2
[M+K]+ 275.02511 156.3
[M-H]- 235.05467 154.1
[M+Na-2H]- 257.03662 157.1
[M]+ 236.06140 153.8
[M]- 236.06250 153.8
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.