CID 3067414

Brn 4268062

Structural Information

Molecular Formula
C23H25N2PSe
SMILES
C1N(CP(=[Se])(CN1CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H25N2PSe/c27-26(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-26)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKey
DEQNYYIEOIYTII-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.09207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.09935 206.6
[M+Na]+ 463.08129 209.7
[M-H]- 439.08479 212.8
[M+NH4]+ 458.12589 215.9
[M+K]+ 479.05523 201.9
[M+H-H2O]+ 423.08933 190.0
[M+HCOO]- 485.09027 226.9
[M+CH3COO]- 499.10592 213.0
[M+Na-2H]- 461.06674 204.0
[M]+ 440.09152 200.6
[M]- 440.09262 200.6
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.