CID 9659483

4-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C27H24N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC=C)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C27H24N2O5/c1-3-17-33-23-13-11-22(12-14-23)27(31)29-28-19-21-9-15-24(25(18-21)32-2)34-26(30)16-10-20-7-5-4-6-8-20/h3-16,18-19H,1,17H2,2H3,(H,29,31)/b16-10+,28-19+
InChIKey
QFLKMALCKKAINC-OBFPQIRLSA-N
Compound name
[2-methoxy-4-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.16852 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17580 211.8
[M+Na]+ 479.15774 215.4
[M-H]- 455.16124 221.7
[M+NH4]+ 474.20234 219.2
[M+K]+ 495.13168 210.7
[M+H-H2O]+ 439.16578 199.8
[M+HCOO]- 501.16672 236.1
[M+CH3COO]- 515.18237 238.5
[M+Na-2H]- 477.14319 212.4
[M]+ 456.16797 215.9
[M]- 456.16907 215.9
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.