CID 45054788

2-iodo-n-(2-(2-(4-methylbenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16IN3O2
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H16IN3O2/c1-12-6-8-13(9-7-12)10-20-21-16(22)11-19-17(23)14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
JEDWGVVLTZLGQT-KEBDBYFISA-N
Compound name
2-iodo-N-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.02872 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.03600 190.6
[M+Na]+ 444.01794 188.3
[M-H]- 420.02144 190.8
[M+NH4]+ 439.06254 199.6
[M+K]+ 459.99188 190.6
[M+H-H2O]+ 404.02598 177.5
[M+HCOO]- 466.02692 211.4
[M+CH3COO]- 480.04257 221.7
[M+Na-2H]- 442.00339 181.5
[M]+ 421.02817 187.5
[M]- 421.02927 187.5
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.