CID 437776

Brn 2791312

Structural Information

Molecular Formula
C25H35NO6
SMILES
CCN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C25H35NO6/c1-7-26(18(2)15-19-9-11-21(28-3)12-10-19)13-8-14-32-25(27)20-16-22(29-4)24(31-6)23(17-20)30-5/h9-12,16-18H,7-8,13-15H2,1-6H3
InChIKey
QTFNVBVRYJMVKS-UHFFFAOYSA-N
Compound name
3-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]propyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

445.24643 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.253706 210.8
[M+Na]+ 468.235648 214.3
[M-H]- 444.239154 217.9
[M+NH4]+ 463.280253 220.1
[M+K]+ 484.209588 214.1
[M+H-H2O]+ 428.243690 200.4
[M+HCOO]- 490.244631 232.1
[M+CH3COO]- 504.260281 240.2
[M+Na-2H]- 466.221096 207.7
[M]+ 445.24588142 222.3
[M]- 445.24697858 222.3
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

patents stripe