CID 13935768

86480-25-3

Structural Information

Molecular Formula
C24H32N2O4
SMILES
COC1=C(C=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)OC
InChI
InChI=1S/C24H32N2O4/c1-29-21-13-12-20(18-22(21)30-2)15-17-26-24(28)11-7-6-10-23(27)25-16-14-19-8-4-3-5-9-19/h3-5,8-9,12-13,18H,6-7,10-11,14-17H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
GIAVDZQVSYRJAD-UHFFFAOYSA-N
Compound name
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

412.2362 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.7
[M+Na]+ 435.22542 205.4
[M-H]- 411.22892 208.7
[M+NH4]+ 430.27002 212.9
[M+K]+ 451.19936 201.8
[M+H-H2O]+ 395.23346 193.3
[M+HCOO]- 457.23440 225.7
[M+CH3COO]- 471.25005 231.2
[M+Na-2H]- 433.21087 203.4
[M]+ 412.23565 208.3
[M]- 412.23675 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe