CID 11458966

364356-34-3

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CN(C1=CC=CC=C1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H10N2O2S/c1-13(8-5-3-2-4-6-8)11-12-9(7-16-11)10(14)15/h2-7H,1H3,(H,14,15)
InChIKey
PGNOYARCOJMDDM-UHFFFAOYSA-N
Compound name
2-(N-methylanilino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

234.0463 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 149.8
[M+Na]+ 257.03552 157.7
[M-H]- 233.03902 156.0
[M+NH4]+ 252.08012 168.1
[M+K]+ 273.00946 155.1
[M+H-H2O]+ 217.04356 142.6
[M+HCOO]- 279.04450 169.2
[M+CH3COO]- 293.06015 190.2
[M+Na-2H]- 255.02097 151.5
[M]+ 234.04575 152.1
[M]- 234.04685 152.1
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

patents stripe