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]+ 498.05205 210.7
[M+Na]+ 520.03399 208.5
[M-H]- 496.03749 211.1
[M+NH4]+ 515.07859 216.8
[M+K]+ 536.00793 212.7
[M+H-H2O]+ 480.04203 196.7
[M+HCOO]- 542.04297 231.0
[M+CH3COO]- 556.05862 235.9
[M+Na-2H]- 518.01944 199.3
[M]+ 497.04422 212.7
[M]- 497.04532 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.