CID 9678486

2-ethoxy-4-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C28H24N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H24N2O6/c1-3-35-26-14-18(8-13-25(26)36-28(33)19-9-11-22(34-2)12-10-19)17-29-30-27(32)23-15-20-6-4-5-7-21(20)16-24(23)31/h4-17,31H,3H2,1-2H3,(H,30,32)/b29-17+
InChIKey
CNPXQTYHCKNVDW-STBIYBPSSA-N
Compound name
[2-ethoxy-4-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.16342 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17070 216.1
[M+Na]+ 507.15264 220.5
[M-H]- 483.15614 226.1
[M+NH4]+ 502.19724 222.7
[M+K]+ 523.12658 217.2
[M+H-H2O]+ 467.16068 204.0
[M+HCOO]- 529.16162 237.6
[M+CH3COO]- 543.17727 244.1
[M+Na-2H]- 505.13809 217.8
[M]+ 484.16287 220.9
[M]- 484.16397 220.9
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.