CID 59315

102373-05-7

Structural Information

Molecular Formula
C21H27NO4
SMILES
CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)OC)OC
InChI
InChI=1S/C21H27NO4/c1-5-22(6-2)15-20(16-10-8-7-9-11-16)26-21(23)17-12-18(24-3)14-19(13-17)25-4/h7-14,20H,5-6,15H2,1-4H3
InChIKey
RIWJKQGWIMYXRF-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-1-phenylethyl] 3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.201276 188.0
[M+Na]+ 380.183218 192.0
[M-H]- 356.186724 195.3
[M+NH4]+ 375.227823 200.7
[M+K]+ 396.157158 190.9
[M+H-H2O]+ 340.191260 178.5
[M+HCOO]- 402.192201 210.5
[M+CH3COO]- 416.207851 221.9
[M+Na-2H]- 378.168666 188.1
[M]+ 357.19345142 194.5
[M]- 357.19454858 194.5
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.