CID 5792010

Nsc643188

Structural Information

Molecular Formula
C17H18NO3P
SMILES
CCOP(=O)(/C(=C/C1=CC=CC2=CC=CC=C21)/C#N)OCC
InChI
InChI=1S/C17H18NO3P/c1-3-20-22(19,21-4-2)16(13-18)12-15-10-7-9-14-8-5-6-11-17(14)15/h5-12H,3-4H2,1-2H3/b16-12+
InChIKey
ARVGRJBWTHEAQQ-FOWTUZBSSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-naphthalen-1-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10242 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10970 174.8
[M+Na]+ 338.09164 183.5
[M-H]- 314.09514 176.9
[M+NH4]+ 333.13624 189.1
[M+K]+ 354.06558 178.1
[M+H-H2O]+ 298.09968 159.5
[M+HCOO]- 360.10062 196.2
[M+CH3COO]- 374.11627 216.6
[M+Na-2H]- 336.07709 176.7
[M]+ 315.10187 173.8
[M]- 315.10297 173.8
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.