CID 136806687

N-(2-(2-(2-hydroxy-5-methoxybenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C17H16IN3O4
SMILES
COC1=CC(=C(C=C1)O)C=NNC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H16IN3O4/c1-25-12-6-7-15(22)11(8-12)9-20-21-16(23)10-19-17(24)13-4-2-3-5-14(13)18/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)
InChIKey
YAWSZKOHSBSLPY-UHFFFAOYSA-N
Compound name
N-[2-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.01855 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.02583 198.9
[M+Na]+ 476.00777 196.6
[M-H]- 452.01127 198.1
[M+NH4]+ 471.05237 206.0
[M+K]+ 491.98171 199.6
[M+H-H2O]+ 436.01581 185.6
[M+HCOO]- 498.01675 218.4
[M+CH3COO]- 512.03240 224.9
[M+Na-2H]- 473.99322 188.7
[M]+ 453.01800 196.9
[M]- 453.01910 196.9
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.