CID 3075219

172881-96-8

Structural Information

Molecular Formula
C21H25N2O4P
SMILES
CC12CNCC(C1=O)(CN(C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C
InChI
InChI=1S/C21H25N2O4P/c1-20-13-22-14-21(2,19(20)24)16-23(15-20)28(25,26-17-9-5-3-6-10-17)27-18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3
InChIKey
DTXRUNJMFKOIDA-UHFFFAOYSA-N
Compound name
3-diphenoxyphosphoryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16246 194.7
[M+Na]+ 423.14440 206.2
[M+NH4]+ 418.18900 203.6
[M+K]+ 439.11834 196.0
[M-H]- 399.14790 197.1
[M+Na-2H]- 421.12985 202.8
[M]+ 400.15463 197.1
[M]- 400.15573 197.1
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.