CID 3086243

87075-61-4

Structural Information

Molecular Formula
C44H85NO
SMILES
CCCCCCCCC=CCCCCCCCCCCCCNC(=O)CCCCCCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C44H85NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3,(H,45,46)
InChIKey
ABCFHTQGKNXCHE-UHFFFAOYSA-N
Compound name
N-docos-13-enyldocos-13-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

617
Patents

643.6631 Da
Monoisotopic Mass

19.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.67038 279.3
[M+Na]+ 666.65232 283.1
[M+NH4]+ 661.69692 277.2
[M+K]+ 682.62626 282.1
[M-H]- 642.65582 260.5
[M+Na-2H]- 664.63777 275.9
[M]+ 643.66255 274.7
[M]- 643.66365 274.7
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