CID 5469073

Nsc682566

Structural Information

Molecular Formula
C22H24O6
SMILES
COC1=C(C=C(C=C1)/C=C(/C2=CC(=C(C=C2)OC)OC)\C(=O)OCC=C)OC
InChI
InChI=1S/C22H24O6/c1-6-11-28-22(23)17(16-8-10-19(25-3)21(14-16)27-5)12-15-7-9-18(24-2)20(13-15)26-4/h6-10,12-14H,1,11H2,2-5H3/b17-12-
InChIKey
SCIJDCGJBCNTPX-ATVHPVEESA-N
Compound name
prop-2-enyl (Z)-2,3-bis(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 190.2
[M+Na]+ 407.14652 196.6
[M-H]- 383.15002 196.8
[M+NH4]+ 402.19112 201.8
[M+K]+ 423.12046 194.3
[M+H-H2O]+ 367.15456 181.2
[M+HCOO]- 429.15550 211.6
[M+CH3COO]- 443.17115 221.0
[M+Na-2H]- 405.13197 189.1
[M]+ 384.15675 198.7
[M]- 384.15785 198.7
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.