CID 9639354

2-methoxy-4-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C30H28N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=CC4=CC=CC=C43)OC
InChI
InChI=1S/C30H28N2O5/c1-3-17-36-25-14-12-23(13-15-25)30(34)37-27-16-11-21(18-28(27)35-2)20-31-32-29(33)19-24-9-6-8-22-7-4-5-10-26(22)24/h4-16,18,20H,3,17,19H2,1-2H3,(H,32,33)/b31-20+
InChIKey
BFXZUFQWDWOFEE-AJBULDERSA-N
Compound name
[2-methoxy-4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.19983 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.20711 223.3
[M+Na]+ 519.18905 237.1
[M+NH4]+ 514.23365 228.9
[M+K]+ 535.16299 227.8
[M-H]- 495.19255 230.5
[M+Na-2H]- 517.17450 232.0
[M]+ 496.19928 227.2
[M]- 496.20038 227.2
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.