CID 52271

73713-67-4

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O4/c1-2-22-16(19)13-6-8-14(9-7-13)17-11-12-4-3-5-15(10-12)18(20)21/h3-11H,2H2,1H3
InChIKey
CFHPLYRQKPLRNN-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-nitrophenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

298.09537 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 167.7
[M+Na]+ 321.08459 173.2
[M-H]- 297.08809 175.6
[M+NH4]+ 316.12919 181.9
[M+K]+ 337.05853 166.6
[M+H-H2O]+ 281.09263 163.4
[M+HCOO]- 343.09357 194.6
[M+CH3COO]- 357.10922 200.9
[M+Na-2H]- 319.07004 173.8
[M]+ 298.09482 168.6
[M]- 298.09592 168.6
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

patents stripe