CID 206993

Brn 1553617

Structural Information

Molecular Formula
C16H9N3O6
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1
InChI
InChI=1S/C16H9N3O6/c20-16(11-3-6-12(7-4-11)18(21)22)25-15-13(19(23)24)8-5-10-2-1-9-17-14(10)15/h1-9H
InChIKey
OKIYTJMQXQZXDM-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.04913 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05641 173.7
[M+Na]+ 362.03835 189.1
[M+NH4]+ 357.08295 180.1
[M+K]+ 378.01229 187.9
[M-H]- 338.04185 179.5
[M+Na-2H]- 360.02380 181.0
[M]+ 339.04858 177.3
[M]- 339.04968 177.3
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

patents stripe