CID 53362112

Ebaresdax

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
CC1([C@H](N=C(S1)NC2=CC=CC=C2O)C(=O)O)C
InChI
InChI=1S/C12H14N2O3S/c1-12(2)9(10(16)17)14-11(18-12)13-7-5-3-4-6-8(7)15/h3-6,9,15H,1-2H3,(H,13,14)(H,16,17)/t9-/m1/s1
InChIKey
OASISJWJIHWVKX-SECBINFHSA-N
Compound name
(4R)-2-(2-hydroxyanilino)-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

266.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.079776 157.0
[M+Na]+ 289.061718 165.3
[M-H]- 265.065224 160.7
[M+NH4]+ 284.106323 175.2
[M+K]+ 305.035658 161.4
[M+H-H2O]+ 249.069760 151.5
[M+HCOO]- 311.070701 172.8
[M+CH3COO]- 325.086351 191.2
[M+Na-2H]- 287.047166 158.1
[M]+ 266.07195142 157.8
[M]- 266.07304858 157.8
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