CID 5272998

[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] n-propylcarbamate

Structural Information

Molecular Formula
C20H24N2O4Se2
SMILES
CCCNC(=O)OC1=CC=CC=C1[Se][Se]C2=CC=CC=C2OC(=O)NCCC
InChI
InChI=1S/C20H24N2O4Se2/c1-3-13-21-19(23)25-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)26-20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
CZUYEMOFDXOFJJ-UHFFFAOYSA-N
Compound name
[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

516.00665 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.01393 219.1
[M+Na]+ 538.99587 220.9
[M-H]- 514.99937 223.6
[M+NH4]+ 534.04047 228.3
[M+K]+ 554.96981 217.1
[M+H-H2O]+ 499.00391 207.8
[M+HCOO]- 561.00485 240.5
[M+CH3COO]- 575.02050 228.6
[M+Na-2H]- 536.98132 217.4
[M]+ 516.00610 222.8
[M]- 516.00720 222.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.