CID 3051153

Brn 2678056

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCN(CCC1=CC=CC=C1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H29NO5/c1-5-23(12-11-17-9-7-6-8-10-17)13-14-28-22(24)18-15-19(25-2)21(27-4)20(16-18)26-3/h6-10,15-16H,5,11-14H2,1-4H3
InChIKey
WMSPKGAVDAXCBO-UHFFFAOYSA-N
Compound name
2-[ethyl(2-phenylethyl)amino]ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20456 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.211836 195.0
[M+Na]+ 410.193778 199.5
[M-H]- 386.197284 202.3
[M+NH4]+ 405.238383 206.7
[M+K]+ 426.167718 198.4
[M+H-H2O]+ 370.201820 185.0
[M+HCOO]- 432.202761 218.3
[M+CH3COO]- 446.218411 227.2
[M+Na-2H]- 408.179226 195.2
[M]+ 387.20401142 204.2
[M]- 387.20510858 204.2
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.