CID 12865231

7369-66-6

Structural Information

Molecular Formula

C₁₈H₃₈NO₄P

SMILES

CCCCCCOP(=O)(CC(=O)N(CC)CC)OCCCCCC

InChI

InChI=1S/C18H38NO4P/c1-5-9-11-13-15-22-24(21,23-16-14-12-10-6-2)17-18(20)19(7-3)8-4/h5-17H2,1-4H3

InChIKey

MSULAAVSYZOTHM-UHFFFAOYSA-N

Compound name

2-dihexoxyphosphoryl-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 51
Patents: 363.25385 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	364.26113	199.0
[M+Na]+	386.24307	200.8
[M-H]-	362.24657	197.3
[M+NH4]+	381.28767	207.9
[M+K]+	402.21701	200.3
[M+H-H2O]+	346.25111	189.5
[M+HCOO]-	408.25205	216.0
[M+CH3COO]-	422.26770	225.1
[M+Na-2H]-	384.22852	195.6
[M]+	363.25330	201.9
[M]-	363.25440	201.9

Literature stripe

literature stripe

Patent stripe

patents stripe