CID 627826

172881-99-1

Structural Information

Molecular Formula
C15H19N2O3P
SMILES
CC12CN3CC(C1=O)(CN(C2)P3(=O)OC4=CC=CC=C4)C
InChI
InChI=1S/C15H19N2O3P/c1-14-8-16-10-15(2,13(14)18)11-17(9-14)21(16,19)20-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey
QGAFLKLNVGYKBZ-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-oxo-2-phenoxy-1,3-diaza-2lambda5-phosphatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

306.11334 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12062 168.8
[M+Na]+ 329.10256 174.5
[M-H]- 305.10606 164.3
[M+NH4]+ 324.14716 192.0
[M+K]+ 345.07650 171.1
[M+H-H2O]+ 289.11060 155.5
[M+HCOO]- 351.11154 179.3
[M+CH3COO]- 365.12719 176.8
[M+Na-2H]- 327.08801 177.6
[M]+ 306.11279 172.8
[M]- 306.11389 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.