CID 135511137

Schembl13754866

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
C1=CC=C(C=C1)COC2=CN=C(C=C2)/C=C(/C3=NC=CS3)\O
InChI
InChI=1S/C17H14N2O2S/c20-16(17-18-8-9-22-17)10-14-6-7-15(11-19-14)21-12-13-4-2-1-3-5-13/h1-11,20H,12H2/b16-10-
InChIKey
WKJJZSAHRWEBTP-YBEGLDIGSA-N
Compound name
(Z)-2-(5-phenylmethoxypyridin-2-yl)-1-(1,3-thiazol-2-yl)ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.0776 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 170.4
[M+Na]+ 333.06682 178.2
[M-H]- 309.07032 176.6
[M+NH4]+ 328.11142 183.7
[M+K]+ 349.04076 172.2
[M+H-H2O]+ 293.07486 161.6
[M+HCOO]- 355.07580 186.8
[M+CH3COO]- 369.09145 181.1
[M+Na-2H]- 331.05227 171.6
[M]+ 310.07705 172.1
[M]- 310.07815 172.1
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.