CID 502142

N-(9-aminononyl)-2-benzamido-butanediamide

Structural Information

Molecular Formula
C20H32N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)NCCCCCCCCCN
InChI
InChI=1S/C20H32N4O3/c21-13-9-4-2-1-3-5-10-14-23-20(27)17(15-18(22)25)24-19(26)16-11-7-6-8-12-16/h6-8,11-12,17H,1-5,9-10,13-15,21H2,(H2,22,25)(H,23,27)(H,24,26)
InChIKey
BCMBWSNMMCTTFJ-UHFFFAOYSA-N
Compound name
N-(9-aminononyl)-2-benzamidobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.24744 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25472 195.2
[M+Na]+ 399.23666 194.0
[M-H]- 375.24016 195.7
[M+NH4]+ 394.28126 204.5
[M+K]+ 415.21060 191.4
[M+H-H2O]+ 359.24470 185.6
[M+HCOO]- 421.24564 216.1
[M+CH3COO]- 435.26129 229.6
[M+Na-2H]- 397.22211 192.2
[M]+ 376.24689 193.4
[M]- 376.24799 193.4
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.