CID 6258098

Akos001180081

Structural Information

Molecular Formula
C15H10N2O5
SMILES
COC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-])/C#N
InChI
InChI=1S/C15H10N2O5/c1-21-15(18)10(9-16)8-11-6-7-14(22-11)12-4-2-3-5-13(12)17(19)20/h2-8H,1H3/b10-8+
InChIKey
ZMXDIXKWWXDNMP-CSKARUKUSA-N
Compound name
methyl (E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 166.6
[M+Na]+ 321.04818 177.9
[M+NH4]+ 316.09278 169.1
[M+K]+ 337.02212 173.9
[M-H]- 297.05168 163.1
[M+Na-2H]- 319.03363 168.7
[M]+ 298.05841 166.1
[M]- 298.05951 166.1
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.