CID 9623321

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

Structural Information

Molecular Formula
C30H25BrN2O5
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)OC
InChI
InChI=1S/C30H25BrN2O5/c1-20-3-5-21(6-4-20)19-37-27-14-7-22(8-15-27)29(34)33-32-18-24-17-25(31)11-16-28(24)38-30(35)23-9-12-26(36-2)13-10-23/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
InChIKey
MDRBMGWRKLBRDR-KCSSXMTESA-N
Compound name
[4-bromo-2-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.09467 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.10195 225.5
[M+Na]+ 595.08389 230.6
[M+NH4]+ 590.12849 227.5
[M+K]+ 611.05783 227.8
[M-H]- 571.08739 231.7
[M+Na-2H]- 593.06934 232.1
[M]+ 572.09412 226.9
[M]- 572.09522 226.9
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.