CID 9639263

2-iodo-n-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C18H16IN3O2
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C18H16IN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23)/b9-6+,21-12+
InChIKey
FSOOKPLQICBAOQ-XZHCKZKCSA-N
Compound name
2-iodo-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.02872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.03600 194.3
[M+Na]+ 456.01794 191.1
[M-H]- 432.02144 193.9
[M+NH4]+ 451.06254 202.5
[M+K]+ 471.99188 192.5
[M+H-H2O]+ 416.02598 180.9
[M+HCOO]- 478.02692 214.9
[M+CH3COO]- 492.04257 222.0
[M+Na-2H]- 454.00339 185.4
[M]+ 433.02817 190.3
[M]- 433.02927 190.3
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.