CID 6870705

N-{2-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}-3-bromobenzamide

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 187.6
[M+Na]+ 426.00600 195.0
[M-H]- 402.00950 199.2
[M+NH4]+ 421.05060 201.3
[M+K]+ 441.97994 186.1
[M+H-H2O]+ 386.01404 184.3
[M+HCOO]- 448.01498 208.9
[M+CH3COO]- 462.03063 222.8
[M+Na-2H]- 423.99145 193.3
[M]+ 403.01623 207.6
[M]- 403.01733 207.6
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.