CID 45054894

767309-45-5

Structural Information

Molecular Formula
C17H16IN3O3
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H16IN3O3/c1-24-13-8-6-12(7-9-13)10-20-21-16(22)11-19-17(23)14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
JNQWCEPMJNZFBQ-KEBDBYFISA-N
Compound name
2-iodo-N-[2-[(2E)-2-[(4-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]+ 438.030926 194.6
[M+Na]+ 460.012868 192.1
[M-H]- 436.016374 194.7
[M+NH4]+ 455.057473 202.8
[M+K]+ 475.986808 195.0
[M+H-H2O]+ 420.020910 181.2
[M+HCOO]- 482.021851 215.5
[M+CH3COO]- 496.037501 223.7
[M+Na-2H]- 457.998316 185.5
[M]+ 437.02310142 192.7
[M]- 437.02419858 192.7
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.