CID 9632514

767290-96-0

Structural Information

Molecular Formula
C17H16IN3O3
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H16IN3O3/c1-24-13-6-4-5-12(9-13)10-20-21-16(22)11-19-17(23)14-7-2-3-8-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
VEJDMHGXTNZCED-KEBDBYFISA-N
Compound name
2-iodo-N-[2-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.02365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.03093 197.4
[M+Na]+ 460.01287 199.9
[M+NH4]+ 455.05747 198.7
[M+K]+ 475.98681 196.2
[M-H]- 436.01637 195.2
[M+Na-2H]- 457.99832 190.7
[M]+ 437.02310 195.7
[M]- 437.02420 195.7
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.