CID 9564327

303064-85-9

Structural Information

Molecular Formula
C15H12BrN3O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C15H12BrN3O4/c16-12-3-7-14(8-4-12)23-10-15(20)18-17-9-11-1-5-13(6-2-11)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+
InChIKey
YEPXXGIBBZXUCN-RQZCQDPDSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.00113 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00841 175.7
[M+Na]+ 399.99035 182.9
[M-H]- 375.99385 185.3
[M+NH4]+ 395.03495 189.8
[M+K]+ 415.96429 167.9
[M+H-H2O]+ 359.99839 175.8
[M+HCOO]- 421.99933 200.6
[M+CH3COO]- 436.01498 211.2
[M+Na-2H]- 397.97580 183.3
[M]+ 377.00058 194.3
[M]- 377.00168 194.3
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.