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 287.4
[M+Na]+ 855.76772 266.5
[M-H]- 831.77122 266.8
[M+NH4]+ 850.81232 291.7
[M+K]+ 871.74166 256.8
[M+H-H2O]+ 815.77576 265.9
[M+HCOO]- 877.77670 263.9
[M+CH3COO]- 891.79235 307.9
[M+Na-2H]- 853.75317 280.9
[M]+ 832.77795 287.3
[M]- 832.77905 287.3
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.