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 199.2
[M+Na]+ 470.03359 195.2
[M-H]- 446.03709 198.7
[M+NH4]+ 465.07819 206.7
[M+K]+ 486.00753 197.1
[M+H-H2O]+ 430.04163 185.7
[M+HCOO]- 492.04257 218.5
[M+CH3COO]- 506.05822 225.6
[M+Na-2H]- 468.01904 188.6
[M]+ 447.04382 195.0
[M]- 447.04492 195.0
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.