CID 3051178

Phosphonic acid, phenyl-, bis(2-dimethylamino)ethyl ester

Structural Information

Molecular Formula
C14H25N2O3P
SMILES
CN(C)CCOP(=O)(C1=CC=CC=C1)OCCN(C)C
InChI
InChI=1S/C14H25N2O3P/c1-15(2)10-12-18-20(17,19-13-11-16(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKey
LDUSJNCPAWHAFZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy-phenylphosphoryl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16756 173.7
[M+Na]+ 323.14950 177.4
[M-H]- 299.15300 178.0
[M+NH4]+ 318.19410 189.9
[M+K]+ 339.12344 178.4
[M+H-H2O]+ 283.15754 163.4
[M+HCOO]- 345.15848 204.0
[M+CH3COO]- 359.17413 215.8
[M+Na-2H]- 321.13495 175.4
[M]+ 300.15973 180.9
[M]- 300.16083 180.9
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.