CID 5467578

Nsc655956

Structural Information

Molecular Formula
C15H20NO5P
SMILES
CCOP(=O)(/C(=C/C1=C(C=CC(=C1)OC)OC)/C#N)OCC
InChI
InChI=1S/C15H20NO5P/c1-5-20-22(17,21-6-2)14(11-16)10-12-9-13(18-3)7-8-15(12)19-4/h7-10H,5-6H2,1-4H3/b14-10+
InChIKey
GDSIIGNRQHKXOD-GXDHUFHOSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.1079 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11518 169.0
[M+Na]+ 348.09712 177.4
[M-H]- 324.10062 171.1
[M+NH4]+ 343.14172 182.5
[M+K]+ 364.07106 176.0
[M+H-H2O]+ 308.10516 154.1
[M+HCOO]- 370.10610 191.9
[M+CH3COO]- 384.12175 218.3
[M+Na-2H]- 346.08257 169.6
[M]+ 325.10735 171.9
[M]- 325.10845 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.