CID 3051147

Brn 2793387

Structural Information

Molecular Formula
C26H37NO6
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC=CC=C2OC
InChI
InChI=1S/C26H37NO6/c1-7-27(19(2)16-20-12-8-9-13-22(20)29-3)14-10-11-15-33-26(28)21-17-23(30-4)25(32-6)24(18-21)31-5/h8-9,12-13,17-19H,7,10-11,14-16H2,1-6H3
InChIKey
GBEFJBUJDJXMSH-UHFFFAOYSA-N
Compound name
4-[ethyl-[1-(2-methoxyphenyl)propan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.2621 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.269376 215.4
[M+Na]+ 482.251318 218.4
[M-H]- 458.254824 222.3
[M+NH4]+ 477.295923 224.1
[M+K]+ 498.225258 218.0
[M+H-H2O]+ 442.259360 204.8
[M+HCOO]- 504.260301 236.3
[M+CH3COO]- 518.275951 243.0
[M+Na-2H]- 480.236766 211.8
[M]+ 459.26155142 227.2
[M]- 459.26264858 227.2
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.