CID 99244

Di-n-butyl anilidophosphate

Structural Information

Molecular Formula

C₁₄H₂₄NO₃P

SMILES

CCCCOP(=O)(NC1=CC=CC=C1)OCCCC

InChI

InChI=1S/C14H24NO3P/c1-3-5-12-17-19(16,18-13-6-4-2)15-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H,15,16)

InChIKey

IORDJEXCQVLCGQ-UHFFFAOYSA-N

Compound name

N-dibutoxyphosphorylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 285.14938 Da
Monoisotopic Mass: 3.8
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]+	286.15666	171.3
[M+Na]+	308.13860	175.5
[M-H]-	284.14210	172.6
[M+NH4]+	303.18320	187.1
[M+K]+	324.11254	173.5
[M+H-H2O]+	268.14664	161.6
[M+HCOO]-	330.14758	199.4
[M+CH3COO]-	344.16323	204.0
[M+Na-2H]-	306.12405	173.9
[M]+	285.14883	176.6
[M]-	285.14993	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe