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 299.6
[M+Na]+ 697.63302 309.9
[M-H]- 673.63652 290.5
[M+NH4]+ 692.67762 296.4
[M+K]+ 713.60696 308.8
[M+H-H2O]+ 657.64106 294.7
[M+HCOO]- 719.64200 296.1
[M+CH3COO]- 733.65765 291.9
[M+Na-2H]- 695.61847 279.7
[M]+ 674.64325 289.2
[M]- 674.64435 289.2
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.