CID 9634766

2-(2-(4-(benzyloxy)benzoyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C28H20BrClN2O4
SMILES
C1=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=C4Cl
InChI
InChI=1S/C28H20BrClN2O4/c29-22-12-15-26(36-28(34)24-8-4-5-9-25(24)30)21(16-22)17-31-32-27(33)20-10-13-23(14-11-20)35-18-19-6-2-1-3-7-19/h1-17H,18H2,(H,32,33)/b31-17+
InChIKey
URRLEIXZIIWFFI-KBVAKVRCSA-N
Compound name
[4-bromo-2-[(E)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.0295 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.03678 221.3
[M+Na]+ 585.01872 227.8
[M+NH4]+ 580.06332 224.5
[M+K]+ 600.99266 223.8
[M-H]- 561.02222 228.0
[M+Na-2H]- 583.00417 228.9
[M]+ 562.02895 223.4
[M]- 562.03005 223.4
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.