CID 9638981

4-br-2-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)ph 4-chlorobenzoate

Structural Information

Molecular Formula
C29H22BrClN2O4
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=C(C=C4)Cl
InChI
InChI=1S/C29H22BrClN2O4/c1-19-2-4-20(5-3-19)18-36-26-13-8-21(9-14-26)28(34)33-32-17-23-16-24(30)10-15-27(23)37-29(35)22-6-11-25(31)12-7-22/h2-17H,18H2,1H3,(H,33,34)/b32-17+
InChIKey
CGHRDZMQUSHCGO-VTNSRFBWSA-N
Compound name
[4-bromo-2-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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 229.5
[M+Na]+ 599.03439 237.2
[M-H]- 575.03789 244.2
[M+NH4]+ 594.07899 237.1
[M+K]+ 615.00833 224.2
[M+H-H2O]+ 559.04243 223.7
[M+HCOO]- 621.04337 246.2
[M+CH3COO]- 635.05902 251.2
[M+Na-2H]- 597.01984 230.1
[M]+ 576.04462 252.8
[M]- 576.04572 252.8
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.