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 191.3
[M+Na]+ 447.99288 193.6
[M+NH4]+ 443.03748 192.6
[M+K]+ 463.96682 189.7
[M-H]- 423.99638 188.2
[M+Na-2H]- 445.97833 184.8
[M]+ 425.00311 189.3
[M]- 425.00421 189.3
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.