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]+ 276.068876 161.9
[M+Na]+ 298.050818 170.4
[M-H]- 274.054324 166.6
[M+NH4]+ 293.095423 178.5
[M+K]+ 314.024758 165.8
[M+H-H2O]+ 258.058860 155.0
[M+HCOO]- 320.059801 179.3
[M+CH3COO]- 334.075451 192.6
[M+Na-2H]- 296.036266 161.5
[M]+ 275.06105142 165.8
[M]- 275.06214858 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.