CID 207007

Brn 0490915

Structural Information

Molecular Formula
C15H9N3O4
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CN=CC=C3)N=C1
InChI
InChI=1S/C15H9N3O4/c19-15(11-4-1-7-16-9-11)22-14-12(18(20)21)6-5-10-3-2-8-17-13(10)14/h1-9H
InChIKey
GGCLNNJDQSTFPU-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06658 162.6
[M+Na]+ 318.04852 169.5
[M-H]- 294.05202 167.7
[M+NH4]+ 313.09312 174.4
[M+K]+ 334.02246 161.8
[M+H-H2O]+ 278.05656 157.0
[M+HCOO]- 340.05750 184.1
[M+CH3COO]- 354.07315 195.4
[M+Na-2H]- 316.03397 172.5
[M]+ 295.05875 162.3
[M]- 295.05985 162.3
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.