CID 9688521

4-bromo-2-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C22H16BrIN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C22H16BrIN2O4/c1-29-17-9-6-14(7-10-17)22(28)30-20-11-8-16(23)12-15(20)13-25-26-21(27)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
JNPYEZYPOUJRQV-DHRITJCHSA-N
Compound name
[4-bromo-2-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.93384 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.94112 216.2
[M+Na]+ 600.92306 217.1
[M-H]- 576.92656 221.0
[M+NH4]+ 595.96766 222.7
[M+K]+ 616.89700 211.6
[M+H-H2O]+ 560.93110 207.2
[M+HCOO]- 622.93204 232.9
[M+CH3COO]- 636.94769 239.3
[M+Na-2H]- 598.90851 207.0
[M]+ 577.93329 233.0
[M]- 577.93439 233.0
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.