CID 9563111

331462-31-8

Structural Information

Molecular Formula
C15H12N2O5
SMILES
COC1=CC=CC=C1/C=N/OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O5/c1-21-14-8-3-2-5-12(14)10-16-22-15(18)11-6-4-7-13(9-11)17(19)20/h2-10H,1H3/b16-10+
InChIKey
MYZSOEDFOBHJNO-MHWRWJLKSA-N
Compound name
[(E)-(2-methoxyphenyl)methylideneamino] 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07462 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.081896 165.7
[M+Na]+ 323.063838 171.5
[M-H]- 299.067344 173.8
[M+NH4]+ 318.108443 179.7
[M+K]+ 339.037778 165.7
[M+H-H2O]+ 283.071880 161.4
[M+HCOO]- 345.072821 193.1
[M+CH3COO]- 359.088471 200.0
[M+Na-2H]- 321.049286 172.7
[M]+ 300.07407142 167.7
[M]- 300.07516858 167.7
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.