CID 112359

Einecs 274-292-5

Structural Information

Molecular Formula
C43H84N4O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=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)45-37-40-47(39-33-36-44)41-38-46-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35,37-41H2,1-2H3,(H,45,48)(H,46,49)
InChIKey
FKQHSBAADFHUQW-UHFFFAOYSA-N
Compound name
N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.6594 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.66668 300.3
[M+Na]+ 711.64862 310.6
[M-H]- 687.65212 292.7
[M+NH4]+ 706.69322 302.6
[M+K]+ 727.62256 311.4
[M+H-H2O]+ 671.65666 298.7
[M+HCOO]- 733.65760 297.1
[M+CH3COO]- 747.67325 296.0
[M+Na-2H]- 709.63407 284.7
[M]+ 688.65885 294.0
[M]- 688.65995 294.0
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.