CID 5467081

Nsc647361

Structural Information

Molecular Formula
C14H17IO5
SMILES
CCOC(=O)/C(=C/C1=CC(=C(C(=C1)OC)OC)OC)/I
InChI
InChI=1S/C14H17IO5/c1-5-20-14(16)10(15)6-9-7-11(17-2)13(19-4)12(8-9)18-3/h6-8H,5H2,1-4H3/b10-6-
InChIKey
LNVIVYFKOQNPQL-POHAHGRESA-N
Compound name
ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0121 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01938 175.9
[M+Na]+ 415.00132 176.3
[M-H]- 391.00482 172.5
[M+NH4]+ 410.04592 187.2
[M+K]+ 430.97526 181.3
[M+H-H2O]+ 375.00936 165.5
[M+HCOO]- 437.01030 192.7
[M+CH3COO]- 451.02595 208.9
[M+Na-2H]- 412.98677 164.3
[M]+ 392.01155 180.1
[M]- 392.01265 180.1
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.