CID 3058097

Brn 5121822

Structural Information

Molecular Formula
C23H25N2OP
SMILES
CC1=CC=C(C=C1)N2CN(CP(=O)(C2)C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H25N2OP/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-27(26,17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
InChIKey
YYULAQOZWKVSII-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylphenyl)-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.17044 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17772 193.0
[M+Na]+ 399.15966 210.1
[M+NH4]+ 394.20426 202.7
[M+K]+ 415.13360 198.1
[M-H]- 375.16316 201.3
[M+Na-2H]- 397.14511 205.9
[M]+ 376.16989 198.2
[M]- 376.17099 198.2
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.