CID 3072537

3-(methylamino)-2-phenyl-2,3-dihydro-4h-1,3,2-benzoxazaphosphorin-4-one 2-oxide

Structural Information

Molecular Formula
C14H13N2O3P
SMILES
CNN1C(=O)C2=CC=CC=C2OP1(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H13N2O3P/c1-15-16-14(17)12-9-5-6-10-13(12)19-20(16,18)11-7-3-2-4-8-11/h2-10,15H,1H3
InChIKey
MNISZVWHQDMFPF-UHFFFAOYSA-N
Compound name
3-(methylamino)-2-oxo-2-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06638 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07366 163.4
[M+Na]+ 311.05560 171.9
[M-H]- 287.05910 169.4
[M+NH4]+ 306.10020 179.3
[M+K]+ 327.02954 169.5
[M+H-H2O]+ 271.06364 152.3
[M+HCOO]- 333.06458 189.3
[M+CH3COO]- 347.08023 202.7
[M+Na-2H]- 309.04105 168.4
[M]+ 288.06583 163.9
[M]- 288.06693 163.9
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.