CID 3051202

Brn 2795954

Structural Information

Molecular Formula
C29H43NO7
SMILES
CCN(CCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C29H43NO7/c1-8-30(21(2)17-22-13-14-24(32-3)25(18-22)33-4)15-11-9-10-12-16-37-29(31)23-19-26(34-5)28(36-7)27(20-23)35-6/h13-14,18-21H,8-12,15-17H2,1-7H3
InChIKey
HDLOIFMMVIOBNG-UHFFFAOYSA-N
Compound name
6-[1-(3,4-dimethoxyphenyl)propan-2-yl-ethylamino]hexyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.30396 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.31124 230.8
[M+Na]+ 540.29318 233.0
[M-H]- 516.29668 237.3
[M+NH4]+ 535.33778 237.2
[M+K]+ 556.26712 233.0
[M+H-H2O]+ 500.30122 219.6
[M+HCOO]- 562.30216 250.7
[M+CH3COO]- 576.31781 254.9
[M+Na-2H]- 538.27863 225.2
[M]+ 517.30341 245.3
[M]- 517.30451 245.3
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

No patent data available for this compound.