CID 3065120

Diisobutyl anilidophosphate

Structural Information

Molecular Formula
C14H24NO3P
SMILES
CC(C)COP(=O)(NC1=CC=CC=C1)OCC(C)C
InChI
InChI=1S/C14H24NO3P/c1-12(2)10-17-19(16,18-11-13(3)4)15-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,15,16)
InChIKey
YTXJKISHOJJDOK-UHFFFAOYSA-N
Compound name
N-[bis(2-methylpropoxy)phosphoryl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14938 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15666 171.6
[M+Na]+ 308.13860 175.4
[M-H]- 284.14210 173.2
[M+NH4]+ 303.18320 187.3
[M+K]+ 324.11254 174.5
[M+H-H2O]+ 268.14664 162.3
[M+HCOO]- 330.14758 197.8
[M+CH3COO]- 344.16323 205.5
[M+Na-2H]- 306.12405 171.8
[M]+ 285.14883 175.8
[M]- 285.14993 175.8
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.