CID 3063864

Di-n-amyl anilidophosphate

Structural Information

Molecular Formula
C16H28NO3P
SMILES
CCCCCOP(=O)(NC1=CC=CC=C1)OCCCCC
InChI
InChI=1S/C16H28NO3P/c1-3-5-10-14-19-21(18,20-15-11-6-4-2)17-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3,(H,17,18)
InChIKey
FHSCQTAPFLXLHK-UHFFFAOYSA-N
Compound name
N-dipentoxyphosphorylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1807 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18798 180.6
[M+Na]+ 336.16992 184.0
[M-H]- 312.17342 181.6
[M+NH4]+ 331.21452 195.3
[M+K]+ 352.14386 181.6
[M+H-H2O]+ 296.17796 170.6
[M+HCOO]- 358.17890 208.1
[M+CH3COO]- 372.19455 210.0
[M+Na-2H]- 334.15537 182.2
[M]+ 313.18015 186.7
[M]- 313.18125 186.7
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.