CID 6870705

N-(benzo[1,3]dioxol-5-ylmethylene-hydrazinocarbonylmethyl)-3-bromo-benzamide

Structural Information

Molecular Formula
C17H14BrN3O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C17H14BrN3O4/c18-13-3-1-2-12(7-13)17(23)19-9-16(22)21-20-8-11-4-5-14-15(6-11)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22)/b20-8+
InChIKey
XYMUIWXSRDNWQE-DNTJNYDQSA-N
Compound name
N-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

403.01678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.02406 186.7
[M+Na]+ 426.00600 187.3
[M+NH4]+ 421.05060 189.2
[M+K]+ 441.97994 189.5
[M-H]- 402.00950 191.0
[M+Na-2H]- 423.99145 187.7
[M]+ 403.01623 186.5
[M]- 403.01733 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.