CID 487312

8-(2-naphthyloxy)-5-nitroquinoline

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4
InChI
InChI=1S/C19H12N2O3/c22-21(23)17-9-10-18(19-16(17)6-3-11-20-19)24-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H
InChIKey
VPKUGQCGFWNRPZ-UHFFFAOYSA-N
Compound name
8-naphthalen-2-yloxy-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.08478 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09206 170.1
[M+Na]+ 339.07400 178.1
[M-H]- 315.07750 177.5
[M+NH4]+ 334.11860 183.5
[M+K]+ 355.04794 168.6
[M+H-H2O]+ 299.08204 164.2
[M+HCOO]- 361.08298 192.8
[M+CH3COO]- 375.09863 202.4
[M+Na-2H]- 337.05945 181.5
[M]+ 316.08423 171.0
[M]- 316.08533 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.