CID 9588045

Brn 2882575

Structural Information

Molecular Formula
C13H18N3O3P
SMILES
CCCNP(=O)(OCC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C13H18N3O3P/c1-3-10-15-20(17,18-4-2)19-16-13(11-14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,15,17)/b16-13-
InChIKey
RXEGZMGTKWXIMN-SSZFMOIBSA-N
Compound name
(E)-N-[ethoxy(propylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10858 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11586 165.5
[M+Na]+ 318.09780 171.7
[M-H]- 294.10130 167.9
[M+NH4]+ 313.14240 179.3
[M+K]+ 334.07174 170.3
[M+H-H2O]+ 278.10584 149.4
[M+HCOO]- 340.10678 191.3
[M+CH3COO]- 354.12243 218.4
[M+Na-2H]- 316.08325 168.4
[M]+ 295.10803 164.4
[M]- 295.10913 164.4
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.