CID 3715062

3'-(2-hydroxy-3-methoxy-5-nitrobenzylideneamino)acetophenone

Structural Information

Molecular Formula
C16H14N2O5
SMILES
CC(=O)C1=CC(=CC=C1)N=CC2=C(C(=CC(=C2)[N+](=O)[O-])OC)O
InChI
InChI=1S/C16H14N2O5/c1-10(19)11-4-3-5-13(6-11)17-9-12-7-14(18(21)22)8-15(23-2)16(12)20/h3-9,20H,1-2H3
InChIKey
AEJOSXXEFYMPAM-UHFFFAOYSA-N
Compound name
1-[3-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09027 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 169.4
[M+Na]+ 337.07949 176.0
[M-H]- 313.08299 176.7
[M+NH4]+ 332.12409 182.7
[M+K]+ 353.05343 169.3
[M+H-H2O]+ 297.08753 165.6
[M+HCOO]- 359.08847 194.9
[M+CH3COO]- 373.10412 203.5
[M+Na-2H]- 335.06494 174.2
[M]+ 314.08972 170.8
[M]- 314.09082 170.8
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.