CID 502150

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-benzamido-pentanediamide

Structural Information

Molecular Formula
C22H38N6O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)NCCCNCCCCNCCCN
InChI
InChI=1S/C22H38N6O3/c23-12-6-15-25-13-4-5-14-26-16-7-17-27-22(31)19(10-11-20(24)29)28-21(30)18-8-2-1-3-9-18/h1-3,8-9,19,25-26H,4-7,10-17,23H2,(H2,24,29)(H,27,31)(H,28,30)
InChIKey
BNMPMSJYGZRDCO-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-benzamidopentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.30054 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.30782 205.2
[M+Na]+ 457.28976 201.4
[M-H]- 433.29326 205.2
[M+NH4]+ 452.33436 211.4
[M+K]+ 473.26370 199.3
[M+H-H2O]+ 417.29780 194.2
[M+HCOO]- 479.29874 227.4
[M+CH3COO]- 493.31439 246.4
[M+Na-2H]- 455.27521 202.7
[M]+ 434.29999 202.5
[M]- 434.30109 202.5
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.