CID 66966

110-31-6

Structural Information

Molecular Formula
C38H72N2O2
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C38H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,41)(H,40,42)
InChIKey
OXDXXMDEEFOVHR-UHFFFAOYSA-N
Compound name
N-[2-(octadec-9-enoylamino)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8171
Patents

588.5594 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.56668 272.2
[M+Na]+ 611.54862 281.4
[M-H]- 587.55212 260.2
[M+NH4]+ 606.59322 271.1
[M+K]+ 627.52256 280.6
[M+H-H2O]+ 571.55666 269.9
[M+HCOO]- 633.55760 274.4
[M+CH3COO]- 647.57325 270.9
[M+Na-2H]- 609.53407 255.3
[M]+ 588.55885 267.0
[M]- 588.55995 267.0
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