CID 12373866

751427-39-1

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
CNC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O2S/c1-14-12-15-11(9(18-12)6-10(16)17)7-2-4-8(13)5-3-7/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKey
CLEOENHXLJXIBB-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02298 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.030256 160.1
[M+Na]+ 305.012198 169.7
[M-H]- 281.015704 165.2
[M+NH4]+ 300.056803 177.3
[M+K]+ 320.986138 163.9
[M+H-H2O]+ 265.020240 154.1
[M+HCOO]- 327.021181 174.0
[M+CH3COO]- 341.036831 195.9
[M+Na-2H]- 302.997646 160.1
[M]+ 282.02243142 164.2
[M]- 282.02352858 164.2
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.