CID 6450489

N-erucylerucamide

Structural Information

Molecular Formula
C44H85NO
SMILES
CCCCCCCC/C=C/CCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC
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)/b19-17+,20-18+
InChIKey
ABCFHTQGKNXCHE-XPWSMXQVSA-N
Compound name
(E)-N-[(E)-docos-13-enyl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

689
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 285.0
[M+Na]+ 666.65232 291.6
[M-H]- 642.65582 265.4
[M+NH4]+ 661.69692 282.0
[M+K]+ 682.62626 294.2
[M+H-H2O]+ 626.66036 282.3
[M+HCOO]- 688.66130 288.5
[M+CH3COO]- 702.67695 281.6
[M+Na-2H]- 664.63777 265.5
[M]+ 643.66255 282.2
[M]- 643.66365 282.2
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.