CID 45054638

N-(2-(2-(3-bromobenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C16H13BrIN3O2
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Br)I
InChI
InChI=1S/C16H13BrIN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
DBEFSIMJFDLEGQ-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.92358 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.93086 193.7
[M+Na]+ 507.91280 194.4
[M-H]- 483.91630 196.0
[M+NH4]+ 502.95740 203.7
[M+K]+ 523.88674 188.0
[M+H-H2O]+ 467.92084 185.7
[M+HCOO]- 529.92178 212.0
[M+CH3COO]- 543.93743 225.9
[M+Na-2H]- 505.89825 186.4
[M]+ 484.92303 207.5
[M]- 484.92413 207.5
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.