CID 3051177

Phosphonic acid, p-methoxyphenyl-, bis(2-(dimethylamino)ethyl) ester

Structural Information

Molecular Formula
C15H27N2O4P
SMILES
CN(C)CCOP(=O)(C1=CC=C(C=C1)OC)OCCN(C)C
InChI
InChI=1S/C15H27N2O4P/c1-16(2)10-12-20-22(18,21-13-11-17(3)4)15-8-6-14(19-5)7-9-15/h6-9H,10-13H2,1-5H3
InChIKey
SMWCRGGAKVBDKL-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy-(4-methoxyphenyl)phosphoryl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17084 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17812 180.3
[M+Na]+ 353.16006 184.3
[M-H]- 329.16356 184.8
[M+NH4]+ 348.20466 195.4
[M+K]+ 369.13400 185.8
[M+H-H2O]+ 313.16810 169.8
[M+HCOO]- 375.16904 210.4
[M+CH3COO]- 389.18469 222.0
[M+Na-2H]- 351.14551 181.1
[M]+ 330.17029 189.7
[M]- 330.17139 189.7
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.