CID 45054325

N-(2-(2-(4-fluorobenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C16H13FIN3O2
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)F)I
InChI
InChI=1S/C16H13FIN3O2/c17-12-7-5-11(6-8-12)9-20-21-15(22)10-19-16(23)13-3-1-2-4-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
SBWQROXOGCIRPK-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.00366 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.01094 187.9
[M+Na]+ 447.99288 186.1
[M-H]- 423.99638 186.9
[M+NH4]+ 443.03748 196.7
[M+K]+ 463.96682 188.2
[M+H-H2O]+ 408.00092 174.1
[M+HCOO]- 470.00186 208.0
[M+CH3COO]- 484.01751 221.3
[M+Na-2H]- 445.97833 178.9
[M]+ 425.00311 183.5
[M]- 425.00421 183.5
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.