CID 368664

Nsc639782

Structural Information

Molecular Formula
C24H18N4O2Se2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C24H18N4O2Se2/c29-23(27-21-13-5-7-15-25-21)17-9-1-3-11-19(17)31-32-20-12-4-2-10-18(20)24(30)28-22-14-6-8-16-26-22/h1-16H,(H,25,27,29)(H,26,28,30)
InChIKey
IKVXKYMIRYMNFY-UHFFFAOYSA-N
Compound name
N-pyridin-2-yl-2-[[2-(pyridin-2-ylcarbamoyl)phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

553.976 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.98328 224.2
[M+Na]+ 576.96522 226.5
[M-H]- 552.96872 232.0
[M+NH4]+ 572.00982 227.6
[M+K]+ 592.93916 218.9
[M+H-H2O]+ 536.97326 209.4
[M+HCOO]- 598.97420 243.2
[M+CH3COO]- 612.98985 229.5
[M+Na-2H]- 574.95067 226.3
[M]+ 553.97545 221.8
[M]- 553.97655 221.8
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