CID 202207

7761-68-4

Structural Information

Molecular Formula
C22H24NO5P
SMILES
COC1=C(C=C(C=C1)CCNP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C22H24NO5P/c1-25-21-14-13-18(17-22(21)26-2)15-16-23-29(24,27-19-9-5-3-6-10-19)28-20-11-7-4-8-12-20/h3-14,17H,15-16H2,1-2H3,(H,23,24)
InChIKey
KWAKUXFPRWGHFY-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-diphenoxyphosphorylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.13922 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14650 198.7
[M+Na]+ 436.12844 202.8
[M-H]- 412.13194 206.5
[M+NH4]+ 431.17304 208.1
[M+K]+ 452.10238 200.0
[M+H-H2O]+ 396.13648 185.5
[M+HCOO]- 458.13742 226.7
[M+CH3COO]- 472.15307 226.1
[M+Na-2H]- 434.11389 200.9
[M]+ 413.13867 204.0
[M]- 413.13977 204.0
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.