CID 198256

49779-99-9

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
C1=CC(=CC=C1C2=C(SC(=N2)N)CC(=O)O)Cl
InChI
InChI=1S/C11H9ClN2O2S/c12-7-3-1-6(2-4-7)10-8(5-9(15)16)17-11(13)14-10/h1-4H,5H2,(H2,13,14)(H,15,16)
InChIKey
XCDLQBPCFGMSKB-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

268.00732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01460 156.0
[M+Na]+ 290.99654 166.1
[M-H]- 267.00004 160.8
[M+NH4]+ 286.04114 173.5
[M+K]+ 306.97048 160.1
[M+H-H2O]+ 251.00458 150.3
[M+HCOO]- 313.00552 169.6
[M+CH3COO]- 327.02117 192.4
[M+Na-2H]- 288.98199 155.5
[M]+ 268.00677 158.8
[M]- 268.00787 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe