CID 64310

Brn 2932518

Structural Information

Molecular Formula
C56H100N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)NC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C56H100N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(59)57-55-41-47-35-48(42-55)38-53(37-47,45-55)54-39-49-36-50(40-54)44-56(43-49,46-54)58-52(60)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-50H,3-46H2,1-2H3,(H,57,59)(H,58,60)
InChIKey
RVWBUGJLYIBOGD-UHFFFAOYSA-N
Compound name
N-[3-[3-(octadecanoylamino)-1-adamantyl]-1-adamantyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

832.7785 Da
Monoisotopic Mass

20.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 833.78578 316.2
[M+Na]+ 855.76772 312.9
[M+NH4]+ 850.81232 325.9
[M+K]+ 871.74166 292.8
[M-H]- 831.77122 310.4
[M+Na-2H]- 853.75317 299.7
[M]+ 832.77795 314.0
[M]- 832.77905 314.0
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.