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 165.7
[M+Na]+ 300.05912 173.6
[M-H]- 276.06262 168.4
[M+NH4]+ 295.10372 178.5
[M+K]+ 316.03306 168.3
[M+H-H2O]+ 260.06716 156.5
[M+HCOO]- 322.06810 185.6
[M+CH3COO]- 336.08375 206.4
[M+Na-2H]- 298.04457 167.4
[M]+ 277.06935 160.6
[M]- 277.07045 160.6
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.