CID 6872735

2-methoxy-4-[2-(4-methoxybenzoyl)carbohydrazonoyl]phenyl benzoate

Structural Information

Molecular Formula
C23H20N2O5
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C23H20N2O5/c1-28-19-11-9-17(10-12-19)22(26)25-24-15-16-8-13-20(21(14-16)29-2)30-23(27)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,26)/b24-15+
InChIKey
LQTMZNIQFODQNU-BUVRLJJBSA-N
Compound name
[2-methoxy-4-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1372 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14448 195.8
[M+Na]+ 427.12642 200.7
[M-H]- 403.12992 206.6
[M+NH4]+ 422.17102 205.6
[M+K]+ 443.10036 198.0
[M+H-H2O]+ 387.13446 184.6
[M+HCOO]- 449.13540 221.3
[M+CH3COO]- 463.15105 228.8
[M+Na-2H]- 425.11187 198.5
[M]+ 404.13665 200.2
[M]- 404.13775 200.2
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.