CID 45055028

2-meo-4-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C30H28N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(C)OC3=CC4=CC=CC=C4C=C3)OC
InChI
InChI=1S/C30H28N2O6/c1-4-36-25-13-11-23(12-14-25)30(34)38-27-16-9-21(17-28(27)35-3)19-31-32-29(33)20(2)37-26-15-10-22-7-5-6-8-24(22)18-26/h5-20H,4H2,1-3H3,(H,32,33)/b31-19+
InChIKey
VSZXGZNAKDHLRR-ZCTHSVRISA-N
Compound name
[2-methoxy-4-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.19476 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.20204 224.8
[M+Na]+ 535.18398 237.7
[M+NH4]+ 530.22858 229.6
[M+K]+ 551.15792 229.9
[M-H]- 511.18748 231.2
[M+Na-2H]- 533.16943 232.8
[M]+ 512.19421 228.3
[M]- 512.19531 228.3
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.