CID 51060422

2-ethoxy-4-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2IN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2I)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H17Cl2IN2O4/c1-2-31-21-11-14(13-27-28-22(29)17-5-3-4-6-19(17)26)7-10-20(21)32-23(30)16-9-8-15(24)12-18(16)25/h3-13H,2H2,1H3,(H,28,29)/b27-13+
InChIKey
VAAFGUVZSDFWMP-UVHMKAGCSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.961 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.96828 221.2
[M+Na]+ 604.95022 221.9
[M-H]- 580.95372 223.9
[M+NH4]+ 599.99482 225.9
[M+K]+ 620.92416 221.6
[M+H-H2O]+ 564.95826 208.3
[M+HCOO]- 626.95920 231.8
[M+CH3COO]- 640.97485 243.8
[M+Na-2H]- 602.93567 209.3
[M]+ 581.96045 226.0
[M]- 581.96155 226.0
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.