CID 361841

Nsc625157

Structural Information

Molecular Formula
C24H34O10
SMILES
CCOC(=O)C(CC1=CC(=C(C=C1OC)CC(C(=O)OCC)C(=O)OCC)OC)C(=O)OCC
InChI
InChI=1S/C24H34O10/c1-7-31-21(25)17(22(26)32-8-2)11-15-13-20(30-6)16(14-19(15)29-5)12-18(23(27)33-9-3)24(28)34-10-4/h13-14,17-18H,7-12H2,1-6H3
InChIKey
WDWSEYBZJVGBMV-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-2,5-dimethoxyphenyl]methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.2152 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.22248 210.1
[M+Na]+ 505.20442 221.2
[M-H]- 481.20792 214.2
[M+NH4]+ 500.24902 226.2
[M+K]+ 521.17836 214.7
[M+H-H2O]+ 465.21246 201.8
[M+HCOO]- 527.21340 220.7
[M+CH3COO]- 541.22905 239.3
[M+Na-2H]- 503.18987 203.0
[M]+ 482.21465 214.0
[M]- 482.21575 214.0
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

No patent data available for this compound.