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
2
Annotation Hits

0
References

56
Patents

266.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 157.0
[M+Na]+ 289.06172 165.3
[M-H]- 265.06522 160.7
[M+NH4]+ 284.10632 175.2
[M+K]+ 305.03566 161.4
[M+H-H2O]+ 249.06976 151.5
[M+HCOO]- 311.07070 172.8
[M+CH3COO]- 325.08635 191.2
[M+Na-2H]- 287.04717 158.1
[M]+ 266.07195 157.8
[M]- 266.07305 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