CID 6509948

Alpha-cyanobenzaldoxime o-ethyl-n-isopropylphosphoramidate

Structural Information

Molecular Formula
C13H18N3O3P
SMILES
CCOP(=O)(NC(C)C)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C13H18N3O3P/c1-4-18-20(17,16-11(2)3)19-15-13(10-14)12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H,16,17)/b15-13-
InChIKey
WQIOBHGYHVRPSD-SQFISAMPSA-N
Compound name
(E)-N-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11586 171.6
[M+Na]+ 318.09780 179.0
[M+NH4]+ 313.14240 173.4
[M+K]+ 334.07174 171.6
[M-H]- 294.10130 164.8
[M+Na-2H]- 316.08325 172.8
[M]+ 295.10803 169.5
[M]- 295.10913 169.5
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.