CID 502148

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

Structural Information

Molecular Formula
C24H40N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C24H40N4O3/c25-18-12-7-5-3-1-2-4-6-8-13-19-27-24(31)21(16-17-22(26)29)28-23(30)20-14-10-9-11-15-20/h9-11,14-15,21H,1-8,12-13,16-19,25H2,(H2,26,29)(H,27,31)(H,28,30)
InChIKey
LABYCWDMZZCPOZ-UHFFFAOYSA-N
Compound name
N-(12-aminododecyl)-2-benzamidopentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.31003 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.31731 212.2
[M+Na]+ 455.29925 209.2
[M-H]- 431.30275 211.8
[M+NH4]+ 450.34385 219.1
[M+K]+ 471.27319 205.7
[M+H-H2O]+ 415.30729 201.8
[M+HCOO]- 477.30823 231.7
[M+CH3COO]- 491.32388 241.3
[M+Na-2H]- 453.28470 207.2
[M]+ 432.30948 211.7
[M]- 432.31058 211.7
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.