CID 9636705

4-(2-(2-hydroxybenzoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C23H20N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C23H20N2O5/c1-2-29-18-13-9-17(10-14-18)23(28)30-19-11-7-16(8-12-19)15-24-25-22(27)20-5-3-4-6-21(20)26/h3-15,26H,2H2,1H3,(H,25,27)/b24-15+
InChIKey
ZHVBCAAKAIKPQK-BUVRLJJBSA-N
Compound name
[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1372 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14448 195.5
[M+Na]+ 427.12642 199.9
[M-H]- 403.12992 204.9
[M+NH4]+ 422.17102 204.6
[M+K]+ 443.10036 196.5
[M+H-H2O]+ 387.13446 184.6
[M+HCOO]- 449.13540 219.5
[M+CH3COO]- 463.15105 226.6
[M+Na-2H]- 425.11187 197.9
[M]+ 404.13665 198.1
[M]- 404.13775 198.1
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.