CID 9626837

4-(2-(3,4,5-trimethoxybenzoyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C24H21IN2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C24H21IN2O6/c1-30-20-12-16(13-21(31-2)22(20)32-3)23(28)27-26-14-15-8-10-17(11-9-15)33-24(29)18-6-4-5-7-19(18)25/h4-14H,1-3H3,(H,27,28)/b26-14+
InChIKey
YZHMDDAIRSAWDZ-VULFUBBASA-N
Compound name
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.04443 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.05171 225.0
[M+Na]+ 583.03365 223.1
[M-H]- 559.03715 228.0
[M+NH4]+ 578.07825 228.4
[M+K]+ 599.00759 226.8
[M+H-H2O]+ 543.04169 209.5
[M+HCOO]- 605.04263 243.9
[M+CH3COO]- 619.05828 244.3
[M+Na-2H]- 581.01910 213.0
[M]+ 560.04388 228.3
[M]- 560.04498 228.3
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.