CID 45055245

2-methoxy-4-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C24H23N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CN=CC=C3)OC
InChI
InChI=1S/C24H23N3O5/c1-3-13-31-20-9-7-18(8-10-20)24(29)32-21-11-6-17(14-22(21)30-2)15-26-27-23(28)19-5-4-12-25-16-19/h4-12,14-16H,3,13H2,1-2H3,(H,27,28)/b26-15+
InChIKey
YNQBSZITMDHQSN-CVKSISIWSA-N
Compound name
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16376 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17104 204.5
[M+Na]+ 456.15298 217.1
[M+NH4]+ 451.19758 209.1
[M+K]+ 472.12692 210.0
[M-H]- 432.15648 209.8
[M+Na-2H]- 454.13843 213.3
[M]+ 433.16321 207.5
[M]- 433.16431 207.5
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.