CID 106342

68003-27-0

Structural Information

Molecular Formula
C43H84N4O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C43H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)46-38-37-45-39-41-47(40-33-36-44)43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45H,3-35,37-41H2,1-2H3,(H,46,48)
InChIKey
UQIANWRUIZTUBA-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.6594 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.66668 297.4
[M+Na]+ 711.64862 306.2
[M+NH4]+ 706.69322 300.2
[M+K]+ 727.62256 303.7
[M-H]- 687.65212 289.0
[M+Na-2H]- 709.63407 296.3
[M]+ 688.65885 297.0
[M]- 688.65995 297.0
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.