CID 4069860

Akos024433980

Structural Information

Molecular Formula
C22H46NO4P
SMILES
CCN(CC)C(=O)CP(=O)(OCC(C)(C)CC(C)C)OCC(C)(C)CC(C)C
InChI
InChI=1S/C22H46NO4P/c1-11-23(12-2)20(24)15-28(25,26-16-21(7,8)13-18(3)4)27-17-22(9,10)14-19(5)6/h18-19H,11-17H2,1-10H3
InChIKey
SFDQTTRZERGJCY-UHFFFAOYSA-N
Compound name
2-[bis(2,2,4-trimethylpentoxy)phosphoryl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.31644 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.32372 206.3
[M+Na]+ 442.30566 215.6
[M-H]- 418.30916 208.1
[M+NH4]+ 437.35026 218.0
[M+K]+ 458.27960 214.6
[M+H-H2O]+ 402.31370 198.0
[M+HCOO]- 464.31464 215.8
[M+CH3COO]- 478.33029 239.0
[M+Na-2H]- 440.29111 197.2
[M]+ 419.31589 209.2
[M]- 419.31699 209.2
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.