CID 368660

Nsc639777

Structural Information

Molecular Formula
C50H84N2O2Se2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1[Se][Se]C2=CC=CC=C2C(=O)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H84N2O2Se2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-43-51-49(53)45-39-33-35-41-47(45)55-56-48-42-36-34-40-46(48)50(54)52-44-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,39-42H,3-32,37-38,43-44H2,1-2H3,(H,51,53)(H,52,54)
InChIKey
HWBFKEIRZOJSMH-UHFFFAOYSA-N
Compound name
N-octadecyl-2-[[2-(octadecylcarbamoyl)phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

904.4863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 905.49358 313.3
[M+Na]+ 927.47552 324.6
[M-H]- 903.47902 298.5
[M+NH4]+ 922.52012 313.5
[M+K]+ 943.44946 323.2
[M+H-H2O]+ 887.48356 318.3
[M+HCOO]- 949.48450 320.5
[M+CH3COO]- 963.50015 309.8
[M+Na-2H]- 925.46097 292.5
[M]+ 904.48575 305.5
[M]- 904.48685 305.5
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.