CID 6436468

Einecs 241-135-7

Structural Information

Molecular Formula
C39H76N2O
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C39H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-37-34-38-41-39(42)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-38H2,1-2H3,(H,41,42)/b19-17-,20-18-
InChIKey
QJRZJHNKYKBDSN-CLFAGFIQSA-N
Compound name
(Z)-N-[3-[[(Z)-octadec-9-enyl]amino]propyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

588.59576 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.60304 278.2
[M+Na]+ 611.58498 286.5
[M-H]- 587.58848 262.7
[M+NH4]+ 606.62958 274.3
[M+K]+ 627.55892 286.1
[M+H-H2O]+ 571.59302 274.8
[M+HCOO]- 633.59396 281.3
[M+CH3COO]- 647.60961 272.6
[M+Na-2H]- 609.57043 259.8
[M]+ 588.59521 273.0
[M]- 588.59631 273.0
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

patents stripe