CID 720596

Ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate

Structural Information

Molecular Formula
C15H17NO4
SMILES
CCOC(=O)/C(=C(\C)/C1=CC(=C(C=C1)OC)OC)/C#N
InChI
InChI=1S/C15H17NO4/c1-5-20-15(17)12(9-16)10(2)11-6-7-13(18-3)14(8-11)19-4/h6-8H,5H2,1-4H3/b12-10+
InChIKey
VRVDGLSITMUIHU-ZRDIBKRKSA-N
Compound name
ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.11575 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 160.7
[M+Na]+ 298.10497 170.7
[M+NH4]+ 293.14957 163.1
[M+K]+ 314.07891 163.2
[M-H]- 274.10847 153.5
[M+Na-2H]- 296.09042 161.9
[M]+ 275.11520 159.0
[M]- 275.11630 159.0
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