CID 45054199

2-i-n-(2-(2-(2-methyl-3-phenyl-2-propenylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C19H18IN3O2
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C19H18IN3O2/c1-14(11-15-7-3-2-4-8-15)12-22-23-18(24)13-21-19(25)16-9-5-6-10-17(16)20/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b14-11-,22-12+
InChIKey
XFHKBXMBKMXFHX-LJWIEMNISA-N
Compound name
2-iodo-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.04437 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.05165 201.9
[M+Na]+ 470.03359 203.7
[M+NH4]+ 465.07819 203.0
[M+K]+ 486.00753 199.6
[M-H]- 446.03709 199.6
[M+Na-2H]- 468.01904 194.9
[M]+ 447.04382 200.0
[M]- 447.04492 200.0
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.