CID 437774

Brn 2675792

Structural Information

Molecular Formula
C23H31NO5
SMILES
CN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2
InChI
InChI=1S/C23H31NO5/c1-24(14-12-18-10-6-5-7-11-18)13-8-9-15-29-23(25)19-16-20(26-2)22(28-4)21(17-19)27-3/h5-7,10-11,16-17H,8-9,12-15H2,1-4H3
InChIKey
QQLIVAHBMDGOGS-UHFFFAOYSA-N
Compound name
4-[methyl(2-phenylethyl)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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22748 198.9
[M+Na]+ 424.20942 210.2
[M+NH4]+ 419.25402 204.4
[M+K]+ 440.18336 203.3
[M-H]- 400.21292 202.4
[M+Na-2H]- 422.19487 204.8
[M]+ 401.21965 201.4
[M]- 401.22075 201.4
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.