CID 502141

N-(7-aminoheptyl)-2-benzamido-butanediamide

Structural Information

Molecular Formula
C18H28N4O3
SMILES
C1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)NCCCCCCCN
InChI
InChI=1S/C18H28N4O3/c19-11-7-2-1-3-8-12-21-18(25)15(13-16(20)23)22-17(24)14-9-5-4-6-10-14/h4-6,9-10,15H,1-3,7-8,11-13,19H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKey
QAHACAOWCLZBDL-UHFFFAOYSA-N
Compound name
N-(7-aminoheptyl)-2-benzamidobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.21616 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22344 186.7
[M+Na]+ 371.20538 186.3
[M-H]- 347.20888 187.5
[M+NH4]+ 366.24998 197.1
[M+K]+ 387.17932 184.1
[M+H-H2O]+ 331.21342 177.3
[M+HCOO]- 393.21436 208.2
[M+CH3COO]- 407.23001 223.7
[M+Na-2H]- 369.19083 184.5
[M]+ 348.21561 184.1
[M]- 348.21671 184.1
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.