CID 16474451

4-[(e)-{2-[(2-bromophenyl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C22H16BrClN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H16BrClN2O4/c1-29-20-12-14(13-25-26-21(27)15-6-2-4-8-17(15)23)10-11-19(20)30-22(28)16-7-3-5-9-18(16)24/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
UDDMKTIHXSMYLB-DHRITJCHSA-N
Compound name
[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9982 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.00548 200.0
[M+Na]+ 508.98742 205.2
[M+NH4]+ 504.03202 203.1
[M+K]+ 524.96136 203.0
[M-H]- 484.99092 204.5
[M+Na-2H]- 506.97287 205.9
[M]+ 485.99765 201.1
[M]- 485.99875 201.1
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.