CID 368662

Nsc639780

Structural Information

Molecular Formula
C26H18I2N2O2Se2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)I)[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)I
InChI
InChI=1S/C26H18I2N2O2Se2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,(H,29,31)(H,30,32)
InChIKey
AADGFLXUSDRUNW-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-2-[[2-[(4-iodophenyl)carbamoyl]phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

803.7788 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 804.78608 260.5
[M+Na]+ 826.76802 248.8
[M-H]- 802.77152 255.8
[M+NH4]+ 821.81262 256.6
[M+K]+ 842.74196 253.7
[M+H-H2O]+ 786.77606 241.1
[M+HCOO]- 848.77700 268.0
[M+CH3COO]- 862.79265 252.3
[M+Na-2H]- 824.75347 240.2
[M]+ 803.77825 252.6
[M]- 803.77935 252.6
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.