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 222.6
[M+Na]+ 564.03909 218.7
[M-H]- 540.04259 225.0
[M+NH4]+ 559.08369 226.0
[M+K]+ 580.01303 220.8
[M+H-H2O]+ 524.04713 207.2
[M+HCOO]- 586.04807 241.5
[M+CH3COO]- 600.06372 242.3
[M+Na-2H]- 562.02454 211.1
[M]+ 541.04932 220.6
[M]- 541.05042 220.6
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.