CID 9621510

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

Structural Information

Molecular Formula
C21H15IN2O3
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C21H15IN2O3/c22-19-9-5-4-8-18(19)20(25)24-23-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14+
InChIKey
YVWLJSUVMBZIPW-OEAKJJBVSA-N
Compound name
[4-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.01273 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.02001 200.5
[M+Na]+ 493.00195 198.2
[M-H]- 469.00545 202.9
[M+NH4]+ 488.04655 207.0
[M+K]+ 508.97589 199.8
[M+H-H2O]+ 453.00999 185.9
[M+HCOO]- 515.01093 220.2
[M+CH3COO]- 529.02658 226.2
[M+Na-2H]- 490.98740 191.8
[M]+ 470.01218 197.8
[M]- 470.01328 197.8
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.