CID 135511114

Schembl13427742

Structural Information

Molecular Formula
C17H17NO4
SMILES
CCOC(=O)/C(=C/C1=NC=C(C=C1)OCC2=CC=CC=C2)/O
InChI
InChI=1S/C17H17NO4/c1-2-21-17(20)16(19)10-14-8-9-15(11-18-14)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3/b16-10-
InChIKey
YXCDMZODKVRLDA-YBEGLDIGSA-N
Compound name
ethyl (Z)-2-hydroxy-3-(5-phenylmethoxypyridin-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

299.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 169.4
[M+Na]+ 322.10497 174.9
[M-H]- 298.10847 172.9
[M+NH4]+ 317.14957 181.8
[M+K]+ 338.07891 171.4
[M+H-H2O]+ 282.11301 160.5
[M+HCOO]- 344.11395 189.1
[M+CH3COO]- 358.12960 199.2
[M+Na-2H]- 320.09042 172.4
[M]+ 299.11520 171.3
[M]- 299.11630 171.3
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