CID 387119

Nsc680517

Structural Information

Molecular Formula
C20H14N4O4
SMILES
C1=CC2=C(C=CC(=C2CCC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-])[N+](=O)[O-])N=C1
InChI
InChI=1S/C20H14N4O4/c25-23(26)19-9-7-17-13(3-1-11-21-17)15(19)5-6-16-14-4-2-12-22-18(14)8-10-20(16)24(27)28/h1-4,7-12H,5-6H2
InChIKey
ZEBXQNPPSLVDEJ-UHFFFAOYSA-N
Compound name
6-nitro-5-[2-(6-nitroquinolin-5-yl)ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1015 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10878 185.5
[M+Na]+ 397.09072 190.8
[M-H]- 373.09422 191.2
[M+NH4]+ 392.13532 193.6
[M+K]+ 413.06466 177.1
[M+H-H2O]+ 357.09876 182.4
[M+HCOO]- 419.09970 206.1
[M+CH3COO]- 433.11535 209.3
[M+Na-2H]- 395.07617 197.4
[M]+ 374.10095 184.2
[M]- 374.10205 184.2
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.