CID 9636380

4-(2-(2-iodobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C24H19IN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2I)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C24H19IN2O4/c1-30-22-15-18(16-26-27-24(29)19-9-5-6-10-20(19)25)11-13-21(22)31-23(28)14-12-17-7-3-2-4-8-17/h2-16H,1H3,(H,27,29)/b14-12+,26-16+
InChIKey
RLYGNMGDCGQTEK-DLVCOAMMSA-N
Compound name
[4-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.03894 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.04622 217.0
[M+Na]+ 549.02816 214.4
[M-H]- 525.03166 219.3
[M+NH4]+ 544.07276 221.4
[M+K]+ 565.00210 215.7
[M+H-H2O]+ 509.03620 201.8
[M+HCOO]- 571.03714 236.0
[M+CH3COO]- 585.05279 236.5
[M+Na-2H]- 547.01361 206.2
[M]+ 526.03839 216.2
[M]- 526.03949 216.2
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.