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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.05358	149.6
[M+Na]+	257.03552	160.8
[M+NH4]+	252.08012	157.7
[M+K]+	273.00946	155.5
[M-H]-	233.03902	152.8
[M+Na-2H]-	255.02097	156.8
[M]+	234.04575	152.4
[M]-	234.04685	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe