CID 6450445

9,12-octadecadienamide, n,n'-((methyloxidoimino)di-3,1-propanediyl)bis-

Structural Information

Molecular Formula
C43H79N3O3
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCC[N+]([O-])(CCCNC(=O)CCCCCCC/C=C/C/C=C/CCCCC)C
InChI
InChI=1S/C43H79N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42(47)44-38-34-40-46(3,49)41-35-39-45-43(48)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h12-15,18-21H,4-11,16-17,22-41H2,1-3H3,(H,44,47)(H,45,48)/b14-12+,15-13+,20-18+,21-19+
InChIKey
JJIXUNVBJZPLFA-IURJCLCNSA-N
Compound name
N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-N-[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl]propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

685.6121 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.61938 295.7
[M+Na]+ 708.60132 302.5
[M-H]- 684.60482 287.1
[M+NH4]+ 703.64592 296.5
[M+K]+ 724.57526 306.5
[M+H-H2O]+ 668.60936 281.9
[M+HCOO]- 730.61030 299.3
[M+CH3COO]- 744.62595 281.2
[M+Na-2H]- 706.58677 276.1
[M]+ 685.61155 286.0
[M]- 685.61265 286.0
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.