CID 2933773

548434-41-9

Structural Information

Molecular Formula
C24H32N2O4
SMILES
COC1=CC=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C24H32N2O4/c1-29-21-11-7-19(8-12-21)15-17-25-23(27)5-3-4-6-24(28)26-18-16-20-9-13-22(30-2)14-10-20/h7-14H,3-6,15-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
QSKDNGWMVMSHSS-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(4-methoxyphenyl)ethyl]hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

412.2362 Da
Monoisotopic Mass

3.3
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

No patent data available for this compound.