CID 6020742

55801-65-5

Structural Information

Molecular Formula
C12H11N3O5
SMILES
COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)N)[N+](=O)[O-])OC
InChI
InChI=1S/C12H11N3O5/c1-19-10-4-7(3-8(6-13)12(14)16)9(15(17)18)5-11(10)20-2/h3-5H,1-2H3,(H2,14,16)/b8-3+
InChIKey
QXQNQUBSIXWOQB-FPYGCLRLSA-N
Compound name
(E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0699 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07718 160.0
[M+Na]+ 300.05912 169.6
[M+NH4]+ 295.10372 161.7
[M+K]+ 316.03306 165.3
[M-H]- 276.06262 154.0
[M+Na-2H]- 298.04457 160.4
[M]+ 277.06935 158.3
[M]- 277.07045 158.3
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.