CID 9689080

2-iodo-n-(2-oxo-2-(2-(3,4,5-trimethoxybenzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H20IN3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C19H20IN3O5/c1-26-15-8-12(9-16(27-2)18(15)28-3)10-22-23-17(24)11-21-19(25)13-6-4-5-7-14(13)20/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)/b22-10+
InChIKey
ZJKRMJYUHUXFTO-LSHDLFTRSA-N
Compound name
2-iodo-N-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.04477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.052046 210.7
[M+Na]+ 520.033988 208.5
[M-H]- 496.037494 211.1
[M+NH4]+ 515.078593 216.8
[M+K]+ 536.007928 212.7
[M+H-H2O]+ 480.042030 196.7
[M+HCOO]- 542.042971 231.0
[M+CH3COO]- 556.058621 235.9
[M+Na-2H]- 518.019436 199.3
[M]+ 497.04422142 212.7
[M]- 497.04531858 212.7
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.