CID 6509947

Alpha-cyanobenzaldoxime n,o-diethylphosphoramidate

Structural Information

Molecular Formula
C12H16N3O3P
SMILES
CCNP(=O)(OCC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H16N3O3P/c1-3-14-19(16,17-4-2)18-15-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3,(H,14,16)/b15-12-
InChIKey
NZXWWYOQGFVAPU-QINSGFPZSA-N
Compound name
(E)-N-[ethoxy(ethylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10021 168.1
[M+Na]+ 304.08215 175.9
[M+NH4]+ 299.12675 170.2
[M+K]+ 320.05609 168.0
[M-H]- 280.08565 161.5
[M+Na-2H]- 302.06760 169.7
[M]+ 281.09238 166.1
[M]- 281.09348 166.1
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.