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 224.0
[M+Na]+ 565.07332 229.7
[M-H]- 541.07682 238.4
[M+NH4]+ 560.11792 231.5
[M+K]+ 581.04726 218.1
[M+H-H2O]+ 525.08136 217.5
[M+HCOO]- 587.08230 244.8
[M+CH3COO]- 601.09795 247.0
[M+Na-2H]- 563.05877 225.4
[M]+ 542.08355 244.1
[M]- 542.08465 244.1
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.