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]+ 237.069226 150.8
[M+Na]+ 259.051168 158.5
[M-H]- 235.054674 155.5
[M+NH4]+ 254.095773 168.7
[M+K]+ 275.025108 154.7
[M+H-H2O]+ 219.059210 144.1
[M+HCOO]- 281.060151 168.3
[M+CH3COO]- 295.075801 187.7
[M+Na-2H]- 257.036616 151.6
[M]+ 236.06140142 150.8
[M]- 236.06249858 150.8
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.