CID 3075716

2-phenyl-3-(phenylmethyl)-4h-1,3,2-benzoxazaphosphorin-4-one 2-sulfide

Structural Information

Molecular Formula
C20H16NO2PS
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OP2(=S)C4=CC=CC=C4
InChI
InChI=1S/C20H16NO2PS/c22-20-18-13-7-8-14-19(18)23-24(25,17-11-5-2-6-12-17)21(20)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey
CVXSHVAKEMPQJU-UHFFFAOYSA-N
Compound name
3-benzyl-2-phenyl-2-sulfanylidene-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.06393 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07121 179.1
[M+Na]+ 388.05315 196.1
[M+NH4]+ 383.09775 189.7
[M+K]+ 404.02709 183.0
[M-H]- 364.05665 187.6
[M+Na-2H]- 386.03860 190.7
[M]+ 365.06338 184.8
[M]- 365.06448 184.8
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.