CID 106435

Einecs 268-240-0

Structural Information

Molecular Formula
C27H56N4O2
SMILES
CCCCCC(=O)NCCCCCC(=O)NCCCNCCCCCCCCCCCCN
InChI
InChI=1S/C27H56N4O2/c1-2-3-13-19-26(32)30-24-17-12-14-20-27(33)31-25-18-23-29-22-16-11-9-7-5-4-6-8-10-15-21-28/h29H,2-25,28H2,1H3,(H,30,32)(H,31,33)
InChIKey
RYRBLABDYLACMW-UHFFFAOYSA-N
Compound name
N-[3-(12-aminododecylamino)propyl]-6-(hexanoylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.44034 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.44762 226.6
[M+Na]+ 491.42956 263.0
[M-H]- 467.43306 246.0
[M+NH4]+ 486.47416 247.1
[M+K]+ 507.40350 217.1
[M+H-H2O]+ 451.43760 216.2
[M+HCOO]- 513.43854 251.2
[M+CH3COO]- 527.45419 251.8
[M+Na-2H]- 489.41501 220.9
[M]+ 468.43979 241.4
[M]- 468.44089 241.4
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.