CID 44148786

(z,z)-n,n'-hexane-1,6-diyldidocos-13-enamide

Structural Information

Molecular Formula
C50H96N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-45-49(53)51-47-43-39-40-44-48-52-50(54)46-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-48H2,1-2H3,(H,51,53)(H,52,54)/b19-17-,20-18-
InChIKey
NLELJFDXXCCGFZ-CLFAGFIQSA-N
Compound name
(Z)-N-[6-[[(Z)-docos-13-enoyl]amino]hexyl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

756.7472 Da
Monoisotopic Mass

19.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.75448 305.4
[M+Na]+ 779.73642 311.3
[M+NH4]+ 774.78102 305.0
[M+K]+ 795.71036 310.8
[M-H]- 755.73992 289.5
[M+Na-2H]- 777.72187 301.4
[M]+ 756.74665 302.4
[M]- 756.74775 302.4
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

patents stripe