CID 3025520

103829-05-6

Structural Information

Molecular Formula
C18H11BrN6O7
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NN=C(C=C3)Br)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H11BrN6O7/c19-15-7-8-16(23-22-15)32-14-6-5-10(9-13(14)25(30)31)20-18(27)21-17(26)11-3-1-2-4-12(11)24(28)29/h1-9H,(H2,20,21,26,27)
InChIKey
RKCPDUBDBRNKMD-UHFFFAOYSA-N
Compound name
N-[[4-(6-bromopyridazin-3-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

501.98727 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.99455 203.2
[M+Na]+ 524.97649 205.9
[M+NH4]+ 520.02109 203.2
[M+K]+ 540.95043 211.8
[M-H]- 500.97999 207.1
[M+Na-2H]- 522.96194 206.3
[M]+ 501.98672 203.1
[M]- 501.98782 203.1
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

patents stripe