CID 16227573

(2e)-3-{2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}prop-2-enoic acid

Structural Information

Molecular Formula
C14H13NO3S
SMILES
CC1=NC(=CS1)COC2=CC=CC=C2/C=C/C(=O)O
InChI
InChI=1S/C14H13NO3S/c1-10-15-12(9-19-10)8-18-13-5-3-2-4-11(13)6-7-14(16)17/h2-7,9H,8H2,1H3,(H,16,17)/b7-6+
InChIKey
RREQHKFVRYQJJL-VOTSOKGWSA-N
Compound name
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0616 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06888 161.9
[M+Na]+ 298.05082 170.4
[M-H]- 274.05432 166.6
[M+NH4]+ 293.09542 178.5
[M+K]+ 314.02476 165.8
[M+H-H2O]+ 258.05886 155.0
[M+HCOO]- 320.05980 179.3
[M+CH3COO]- 334.07545 192.6
[M+Na-2H]- 296.03627 161.5
[M]+ 275.06105 165.8
[M]- 275.06215 165.8
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

No patent data available for this compound.