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]+ 398.21733 195.0
[M+Na]+ 420.19927 199.1
[M-H]- 396.20277 199.1
[M+NH4]+ 415.24387 206.7
[M+K]+ 436.17321 200.2
[M+H-H2O]+ 380.20731 186.3
[M+HCOO]- 442.20825 217.2
[M+CH3COO]- 456.22390 228.5
[M+Na-2H]- 418.18472 193.0
[M]+ 397.20950 207.7
[M]- 397.21060 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.