CID 9665276

2-methoxy-4-(2-(3-nitrobenzoyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C24H19N3O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C24H19N3O6/c1-32-22-14-18(16-25-26-24(29)19-8-5-9-20(15-19)27(30)31)10-12-21(22)33-23(28)13-11-17-6-3-2-4-7-17/h2-16H,1H3,(H,26,29)/b13-11+,25-16+
InChIKey
QYCIOKIQSMPOIK-VZAHUZKBSA-N
Compound name
[2-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.12738 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13466 203.9
[M+Na]+ 468.11660 216.5
[M+NH4]+ 463.16120 208.3
[M+K]+ 484.09054 212.0
[M-H]- 444.12010 210.5
[M+Na-2H]- 466.10205 212.2
[M]+ 445.12683 207.1
[M]- 445.12793 207.1
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.