CID 48363

66903-17-1

Structural Information

Molecular Formula
C23H31NO5
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CC2=CC=CC=C2
InChI
InChI=1S/C23H31NO5/c1-5-24(17-18-11-7-6-8-12-18)13-9-10-14-29-23(25)19-15-20(26-2)22(28-4)21(16-19)27-3/h6-8,11-12,15-16H,5,9-10,13-14,17H2,1-4H3
InChIKey
YPACQCLWOFAKFE-UHFFFAOYSA-N
Compound name
4-[benzyl(ethyl)amino]butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22748 199.6
[M+Na]+ 424.20942 203.6
[M-H]- 400.21292 206.7
[M+NH4]+ 419.25402 210.7
[M+K]+ 440.18336 202.3
[M+H-H2O]+ 384.21746 189.4
[M+HCOO]- 446.21840 222.5
[M+CH3COO]- 460.23405 230.1
[M+Na-2H]- 422.19487 199.2
[M]+ 401.21965 209.2
[M]- 401.22075 209.2
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.