CID 45054794

N-(2-(2-(3-chlorobenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C16H13ClIN3O2
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Cl)I
InChI
InChI=1S/C16H13ClIN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
HPIMFFKRKLLBOJ-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.9741 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.98138 193.7
[M+Na]+ 463.96332 197.7
[M+NH4]+ 459.00792 196.1
[M+K]+ 479.93726 193.0
[M-H]- 439.96682 192.1
[M+Na-2H]- 461.94877 188.1
[M]+ 440.97355 192.8
[M]- 440.97465 192.8
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.