CID 44147177

93918-54-8

Structural Information

Molecular Formula
C42H82N4O2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C42H82N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48)/b19-17+,20-18+
InChIKey
SEACOSILDQEZMB-XPWSMXQVSA-N
Compound name
(E)-N-[2-[2-[2-[[(E)-octadec-9-enoyl]amino]ethylamino]ethylamino]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.6438 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.65108 291.7
[M+Na]+ 697.63302 303.2
[M+NH4]+ 692.67762 292.7
[M+K]+ 713.60696 299.5
[M-H]- 673.63652 283.3
[M+Na-2H]- 695.61847 291.3
[M]+ 674.64325 291.4
[M]- 674.64435 291.4
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.