CID 9631543

4-bromo-2-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C29H23BrN2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H23BrN2O4/c1-20-7-9-21(10-8-20)19-35-26-14-11-22(12-15-26)28(33)32-31-18-24-17-25(30)13-16-27(24)36-29(34)23-5-3-2-4-6-23/h2-18H,19H2,1H3,(H,32,33)/b31-18+
InChIKey
QWCYJDWJJNBBGK-FDAWAROLSA-N
Compound name
[4-bromo-2-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.0841 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.09138 218.2
[M+Na]+ 565.07332 223.7
[M+NH4]+ 560.11792 221.0
[M+K]+ 581.04726 220.5
[M-H]- 541.07682 224.9
[M+Na-2H]- 563.05877 225.7
[M]+ 542.08355 219.8
[M]- 542.08465 219.8
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.