CID 9626460

4-(2-((2-chlorophenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H18BrClN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2Cl)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H18BrClN2O5/c1-30-21-11-15(9-10-20(21)32-23(29)16-5-4-6-17(24)12-16)13-26-27-22(28)14-31-19-8-3-2-7-18(19)25/h2-13H,14H2,1H3,(H,27,28)/b26-13+
InChIKey
NVMQNCSTYKQCRZ-LGJNPRDNSA-N
Compound name
[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0088 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.016076 208.6
[M+Na]+ 538.998018 217.2
[M-H]- 515.001524 221.1
[M+NH4]+ 534.042623 219.0
[M+K]+ 554.971958 205.1
[M+H-H2O]+ 499.006060 204.2
[M+HCOO]- 561.007001 226.7
[M+CH3COO]- 575.022651 239.6
[M+Na-2H]- 536.983466 211.0
[M]+ 516.00825142 233.7
[M]- 516.00934858 233.7
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.