CID 3067412

Brn 4268885

Structural Information

Molecular Formula
C23H25N2PSe
SMILES
CC1=CC=C(C=C1)N2CN(CP(=[Se])(C2)C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H25N2PSe/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-26(27,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKey
MLWHDTRDDDZBIE-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylphenyl)-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 206.7
[M+Na]+ 463.08129 211.7
[M-H]- 439.08479 213.8
[M+NH4]+ 458.12589 216.6
[M+K]+ 479.05523 204.0
[M+H-H2O]+ 423.08933 190.6
[M+HCOO]- 485.09027 227.0
[M+CH3COO]- 499.10592 213.9
[M+Na-2H]- 461.06674 202.8
[M]+ 440.09152 201.6
[M]- 440.09262 201.6
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.