CID 44146461

93918-51-5

Structural Information

Molecular Formula
C42H78N4O2
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCC/C=C/C/C=C/CCCCC
InChI
InChI=1S/C42H78N4O2/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/h11-14,17-20,43-44H,3-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48)/b13-11+,14-12+,19-17+,20-18+
InChIKey
DBTILCAHOHXIHS-WVZYQCMWSA-N
Compound name
(9E,12E)-N-[2-[2-[2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

670.6125 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.61978 294.8
[M+Na]+ 693.60172 306.3
[M-H]- 669.60522 287.3
[M+NH4]+ 688.64632 292.2
[M+K]+ 709.57566 304.2
[M+H-H2O]+ 653.60976 290.0
[M+HCOO]- 715.61070 293.0
[M+CH3COO]- 729.62635 289.5
[M+Na-2H]- 691.58717 276.0
[M]+ 670.61195 284.0
[M]- 670.61305 284.0
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.