CID 3050420

Benzoic acid, 4-((4,5-dihydro-2-thiazolyl)amino)-3-methyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 150.8
[M+Na]+ 259.05117 158.5
[M-H]- 235.05467 155.5
[M+NH4]+ 254.09577 168.7
[M+K]+ 275.02511 154.7
[M+H-H2O]+ 219.05921 144.1
[M+HCOO]- 281.06015 168.3
[M+CH3COO]- 295.07580 187.7
[M+Na-2H]- 257.03662 151.6
[M]+ 236.06140 150.8
[M]- 236.06250 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.