CID 368670

Nsc639788

Structural Information

Molecular Formula
C38H60N2O2Se2
SMILES
CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)C(=O)NCCCCCCCCCCCC
InChI
InChI=1S/C38H60N2O2Se2/c1-3-5-7-9-11-13-15-17-19-21-31-39-37(41)33-23-27-35(28-24-33)43-44-36-29-25-34(26-30-36)38(42)40-32-22-20-18-16-14-12-10-8-6-4-2/h23-30H,3-22,31-32H2,1-2H3,(H,39,41)(H,40,42)
InChIKey
SJKXZAIAZNYBMU-UHFFFAOYSA-N
Compound name
N-dodecyl-4-[[4-(dodecylcarbamoyl)phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

736.2985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.30578 289.3
[M+Na]+ 759.28772 283.1
[M-H]- 735.29122 289.6
[M+NH4]+ 754.33232 289.1
[M+K]+ 775.26166 274.0
[M+H-H2O]+ 719.29576 274.8
[M+HCOO]- 781.29670 303.7
[M+CH3COO]- 795.31235 277.4
[M+Na-2H]- 757.27317 278.2
[M]+ 736.29795 296.3
[M]- 736.29905 296.3
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.