CID 5468609

Nsc672862

Structural Information

Molecular Formula
C11H16N3O3P
SMILES
CCOP(=O)(/C(=C/C1=C(NC=N1)C)/C#N)OCC
InChI
InChI=1S/C11H16N3O3P/c1-4-16-18(15,17-5-2)10(7-12)6-11-9(3)13-8-14-11/h6,8H,4-5H2,1-3H3,(H,13,14)/b10-6+
InChIKey
RNZFYCQICSJXAD-UXBLZVDNSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(5-methyl-1H-imidazol-4-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09293 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10021 156.3
[M+Na]+ 292.08215 164.0
[M-H]- 268.08565 154.1
[M+NH4]+ 287.12675 169.7
[M+K]+ 308.05609 162.2
[M+H-H2O]+ 252.09019 140.1
[M+HCOO]- 314.09113 176.3
[M+CH3COO]- 328.10678 205.2
[M+Na-2H]- 290.06760 156.4
[M]+ 269.09238 154.1
[M]- 269.09348 154.1
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.