CID 135509402

Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C13H13NO3S
SMILES
CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)O)C
InChI
InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9/h4-7,15H,3H2,1-2H3
InChIKey
LOCYSKNNFCGDTR-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

263.0616 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 157.7
[M+Na]+ 286.05082 167.2
[M-H]- 262.05432 163.0
[M+NH4]+ 281.09542 175.2
[M+K]+ 302.02476 163.5
[M+H-H2O]+ 246.05886 151.2
[M+HCOO]- 308.05980 175.2
[M+CH3COO]- 322.07545 191.6
[M+Na-2H]- 284.03627 157.2
[M]+ 263.06105 162.4
[M]- 263.06215 162.4
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