CID 502147

N-(10-aminodecyl)-2-benzamido-pentanediamide

Structural Information

Molecular Formula
C22H36N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)NCCCCCCCCCCN
InChI
InChI=1S/C22H36N4O3/c23-16-10-5-3-1-2-4-6-11-17-25-22(29)19(14-15-20(24)27)26-21(28)18-12-8-7-9-13-18/h7-9,12-13,19H,1-6,10-11,14-17,23H2,(H2,24,27)(H,25,29)(H,26,28)
InChIKey
SXCRLAHNUNSMJX-UHFFFAOYSA-N
Compound name
N-(10-aminodecyl)-2-benzamidopentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.27875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.28603 203.7
[M+Na]+ 427.26797 201.6
[M-H]- 403.27147 203.8
[M+NH4]+ 422.31257 211.9
[M+K]+ 443.24191 198.6
[M+H-H2O]+ 387.27601 193.7
[M+HCOO]- 449.27695 223.9
[M+CH3COO]- 463.29260 235.5
[M+Na-2H]- 425.25342 199.7
[M]+ 404.27820 202.6
[M]- 404.27930 202.6
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.