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]+ 446.25371 210.8
[M+Na]+ 468.23565 214.3
[M-H]- 444.23915 217.9
[M+NH4]+ 463.28025 220.1
[M+K]+ 484.20959 214.1
[M+H-H2O]+ 428.24369 200.4
[M+HCOO]- 490.24463 232.1
[M+CH3COO]- 504.26028 240.2
[M+Na-2H]- 466.22110 207.7
[M]+ 445.24588 222.3
[M]- 445.24698 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