CID 9623375

3-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H23ClN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H23ClN2O5/c1-35-25-13-9-23(10-14-25)29(34)37-27-4-2-3-21(17-27)18-31-32-28(33)22-7-15-26(16-8-22)36-19-20-5-11-24(30)12-6-20/h2-18H,19H2,1H3,(H,32,33)/b31-18+
InChIKey
LEKZHKAWQSMXOR-FDAWAROLSA-N
Compound name
[3-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1296 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.13688 224.3
[M+Na]+ 537.11882 229.1
[M-H]- 513.12232 237.4
[M+NH4]+ 532.16342 229.9
[M+K]+ 553.09276 223.8
[M+H-H2O]+ 497.12686 211.7
[M+HCOO]- 559.12780 244.0
[M+CH3COO]- 573.14345 246.9
[M+Na-2H]- 535.10427 225.1
[M]+ 514.12905 230.8
[M]- 514.13015 230.8
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.