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]+ 283.03026 160.1
[M+Na]+ 305.01220 169.7
[M-H]- 281.01570 165.2
[M+NH4]+ 300.05680 177.3
[M+K]+ 320.98614 163.9
[M+H-H2O]+ 265.02024 154.1
[M+HCOO]- 327.02118 174.0
[M+CH3COO]- 341.03683 195.9
[M+Na-2H]- 302.99765 160.1
[M]+ 282.02243 164.2
[M]- 282.02353 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.