CID 9634133

N-(2-(2-(2-bromo-5-methoxybenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C17H15BrIN3O3
SMILES
COC1=CC(=C(C=C1)Br)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C17H15BrIN3O3/c1-25-12-6-7-14(18)11(8-12)9-21-22-16(23)10-20-17(24)13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,20,24)(H,22,23)/b21-9+
InChIKey
IPFKSEAQHDKLMN-ZVBGSRNCSA-N
Compound name
N-[2-[(2E)-2-[(2-bromo-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.93414 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.94142 201.2
[M+Na]+ 537.92336 202.0
[M-H]- 513.92686 203.6
[M+NH4]+ 532.96796 210.3
[M+K]+ 553.89730 196.1
[M+H-H2O]+ 497.93140 192.8
[M+HCOO]- 559.93234 219.2
[M+CH3COO]- 573.94799 231.5
[M+Na-2H]- 535.90881 192.8
[M]+ 514.93359 216.8
[M]- 514.93469 216.8
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.