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 194.1
[M+Na]+ 399.15966 199.9
[M-H]- 375.16316 202.0
[M+NH4]+ 394.20426 204.6
[M+K]+ 415.13360 193.4
[M+H-H2O]+ 359.16770 178.8
[M+HCOO]- 421.16864 215.7
[M+CH3COO]- 435.18429 202.6
[M+Na-2H]- 397.14511 192.1
[M]+ 376.16989 190.2
[M]- 376.17099 190.2
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.