CID 502143

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

Structural Information

Molecular Formula
C21H34N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)NCCCCCCCCCCN
InChI
InChI=1S/C21H34N4O3/c22-14-10-5-3-1-2-4-6-11-15-24-21(28)18(16-19(23)26)25-20(27)17-12-8-7-9-13-17/h7-9,12-13,18H,1-6,10-11,14-16,22H2,(H2,23,26)(H,24,28)(H,25,27)
InChIKey
QUCMOLWLSVNQEX-UHFFFAOYSA-N
Compound name
N-(10-aminodecyl)-2-benzamidobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.2631 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27038 199.5
[M+Na]+ 413.25232 197.8
[M-H]- 389.25582 199.8
[M+NH4]+ 408.29692 208.2
[M+K]+ 429.22626 195.0
[M+H-H2O]+ 373.26036 189.6
[M+HCOO]- 435.26130 220.0
[M+CH3COO]- 449.27695 232.6
[M+Na-2H]- 411.23777 195.9
[M]+ 390.26255 198.0
[M]- 390.26365 198.0
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.