CID 45054894

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

Structural Information

Molecular Formula
C17H16IN3O3
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H16IN3O3/c1-24-13-8-6-12(7-9-13)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
JNQWCEPMJNZFBQ-KEBDBYFISA-N
Compound name
2-iodo-N-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.02365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.03093 194.6
[M+Na]+ 460.01287 192.1
[M-H]- 436.01637 194.7
[M+NH4]+ 455.05747 202.8
[M+K]+ 475.98681 195.0
[M+H-H2O]+ 420.02091 181.2
[M+HCOO]- 482.02185 215.5
[M+CH3COO]- 496.03750 223.7
[M+Na-2H]- 457.99832 185.5
[M]+ 437.02310 192.7
[M]- 437.02420 192.7
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.