CID 9610758

4-br-2-(2-((3-methoxyanilino)(oxo)ac)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H20BrN3O6
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C24H20BrN3O6/c1-32-19-9-6-15(7-10-19)24(31)34-21-11-8-17(25)12-16(21)14-26-28-23(30)22(29)27-18-4-3-5-20(13-18)33-2/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
InChIKey
ONAWRIVTLLHSCO-VULFUBBASA-N
Compound name
[4-bromo-2-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.0535 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.06078 209.2
[M+Na]+ 548.04272 210.8
[M+NH4]+ 543.08732 209.8
[M+K]+ 564.01666 211.1
[M-H]- 524.04622 212.4
[M+Na-2H]- 546.02817 213.1
[M]+ 525.05295 208.8
[M]- 525.05405 208.8
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.