CID 207178

29278-91-9

Structural Information

Molecular Formula
C20H31NO7
SMILES
CCN(CC)CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC(=O)OCC)OC
InChI
InChI=1S/C20H31NO7/c1-6-21(7-2)11-9-10-12-27-19(22)15-13-16(24-4)18(17(14-15)25-5)28-20(23)26-8-3/h13-14H,6-12H2,1-5H3
InChIKey
QSFSOFIMIGRTDY-UHFFFAOYSA-N
Compound name
4-(diethylamino)butyl 4-ethoxycarbonyloxy-3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.21005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.217326 195.0
[M+Na]+ 420.199268 199.1
[M-H]- 396.202774 199.1
[M+NH4]+ 415.243873 206.7
[M+K]+ 436.173208 200.2
[M+H-H2O]+ 380.207310 186.3
[M+HCOO]- 442.208251 217.2
[M+CH3COO]- 456.223901 228.5
[M+Na-2H]- 418.184716 193.0
[M]+ 397.20950142 207.7
[M]- 397.21059858 207.7
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.