CID 9652509

4-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H14ClIN2O3
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)I
InChI
InChI=1S/C21H14ClIN2O3/c22-16-9-7-15(8-10-16)21(27)28-17-11-5-14(6-12-17)13-24-25-20(26)18-3-1-2-4-19(18)23/h1-13H,(H,25,26)/b24-13+
InChIKey
WJQMUOCOXHBMLP-ZMOGYAJESA-N
Compound name
[4-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.97375 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.98103 210.8
[M+Na]+ 526.96297 217.6
[M+NH4]+ 522.00757 213.4
[M+K]+ 542.93691 211.5
[M-H]- 502.96647 211.2
[M+Na-2H]- 524.94842 207.4
[M]+ 503.97320 211.1
[M]- 503.97430 211.1
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.