CID 9687778

4-(2-(((2-iodobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C24H20IN3O4
SMILES
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C24H20IN3O4/c1-16-6-2-3-7-19(16)24(31)32-18-12-10-17(11-13-18)14-27-28-22(29)15-26-23(30)20-8-4-5-9-21(20)25/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
RFGJBXIBBXEPBM-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.04987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.05715 228.1
[M+Na]+ 564.03909 231.3
[M+NH4]+ 559.08369 228.4
[M+K]+ 580.01303 226.8
[M-H]- 540.04259 227.5
[M+Na-2H]- 562.02454 222.3
[M]+ 541.04932 227.0
[M]- 541.05042 227.0
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.