CID 51060804

4-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C22H15Cl2IN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl)I
InChI
InChI=1S/C22H15Cl2IN2O4/c23-17-5-3-7-19(21(17)24)30-13-20(28)27-26-12-14-8-10-15(11-9-14)31-22(29)16-4-1-2-6-18(16)25/h1-12H,13H2,(H,27,28)/b26-12+
InChIKey
QHMUWGIAYGPRSZ-RPPGKUMJSA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.9454 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.95268 216.9
[M+Na]+ 590.93462 217.2
[M-H]- 566.93812 219.4
[M+NH4]+ 585.97922 221.9
[M+K]+ 606.90856 217.0
[M+H-H2O]+ 550.94266 204.0
[M+HCOO]- 612.94360 227.8
[M+CH3COO]- 626.95925 239.9
[M+Na-2H]- 588.92007 206.1
[M]+ 567.94485 221.0
[M]- 567.94595 221.0
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.