CID 3051156

Brn 2681264

Structural Information

Molecular Formula
C26H37NO5
SMILES
CCCC(CCN(CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C26H37NO5/c1-6-11-22(15-17-27(7-2)16-14-20-12-9-8-10-13-20)32-26(28)21-18-23(29-3)25(31-5)24(19-21)30-4/h8-10,12-13,18-19,22H,6-7,11,14-17H2,1-5H3
InChIKey
YGMKRKXGMCGCML-UHFFFAOYSA-N
Compound name
1-[ethyl(2-phenylethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.26718 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.27446 213.4
[M+Na]+ 466.25640 215.7
[M-H]- 442.25990 219.9
[M+NH4]+ 461.30100 222.6
[M+K]+ 482.23034 214.4
[M+H-H2O]+ 426.26444 202.8
[M+HCOO]- 488.26538 234.2
[M+CH3COO]- 502.28103 239.7
[M+Na-2H]- 464.24185 210.2
[M]+ 443.26663 223.3
[M]- 443.26773 223.3
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.