CID 9563111

(e)-[(2-methoxyphenyl)methylidene]amino 3-nitrobenzoate

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]+ 301.08190 165.1
[M+Na]+ 323.06384 178.5
[M+NH4]+ 318.10844 171.7
[M+K]+ 339.03778 174.8
[M-H]- 299.06734 170.2
[M+Na-2H]- 321.04929 173.2
[M]+ 300.07407 168.2
[M]- 300.07517 168.2
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.