CID 502144

N-(12-aminododecyl)-2-benzamido-butanediamide

Structural Information

Molecular Formula
C23H38N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C23H38N4O3/c24-16-12-7-5-3-1-2-4-6-8-13-17-26-23(30)20(18-21(25)28)27-22(29)19-14-10-9-11-15-19/h9-11,14-15,20H,1-8,12-13,16-18,24H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKey
MXJBLEISZUXLIH-UHFFFAOYSA-N
Compound name
N-(12-aminododecyl)-2-benzamidobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.2944 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.30168 208.0
[M+Na]+ 441.28362 205.4
[M-H]- 417.28712 207.8
[M+NH4]+ 436.32822 215.5
[M+K]+ 457.25756 202.2
[M+H-H2O]+ 401.29166 197.7
[M+HCOO]- 463.29260 227.8
[M+CH3COO]- 477.30825 238.4
[M+Na-2H]- 439.26907 203.5
[M]+ 418.29385 207.1
[M]- 418.29495 207.2
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.