CID 9639698

4-br-2-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 3-methylbenzoate

Structural Information

Molecular Formula
C29H22BrClN2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H22BrClN2O4/c1-19-3-2-4-22(15-19)29(35)37-27-14-9-24(30)16-23(27)17-32-33-28(34)21-7-12-26(13-8-21)36-18-20-5-10-25(31)11-6-20/h2-17H,18H2,1H3,(H,33,34)/b32-17+
InChIKey
HJXUVKUZZKGZIA-VTNSRFBWSA-N
Compound name
[4-bromo-2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.04517 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.05245 225.6
[M+Na]+ 599.03439 232.2
[M+NH4]+ 594.07899 228.6
[M+K]+ 615.00833 228.1
[M-H]- 575.03789 232.3
[M+Na-2H]- 597.01984 232.7
[M]+ 576.04462 227.7
[M]- 576.04572 227.7
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.