CID 3051152

Brn 2676106

Structural Information

Molecular Formula
C24H33NO5
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2
InChI
InChI=1S/C24H33NO5/c1-5-25(15-13-19-11-7-6-8-12-19)14-9-10-16-30-24(26)20-17-21(27-2)23(29-4)22(18-20)28-3/h6-8,11-12,17-18H,5,9-10,13-16H2,1-4H3
InChIKey
ILRAPPBJBPSOLA-UHFFFAOYSA-N
Compound name
4-[ethyl(2-phenylethyl)amino]butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

415.23587 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.24315 204.2
[M+Na]+ 438.22509 207.8
[M-H]- 414.22859 211.1
[M+NH4]+ 433.26969 214.7
[M+K]+ 454.19903 206.2
[M+H-H2O]+ 398.23313 193.8
[M+HCOO]- 460.23407 226.7
[M+CH3COO]- 474.24972 233.0
[M+Na-2H]- 436.21054 203.3
[M]+ 415.23532 214.1
[M]- 415.23642 214.1
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