CID 34425

7-nitro-8-quinolyl p-anisate

Structural Information

Molecular Formula
C17H12N2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O5/c1-23-13-7-4-12(5-8-13)17(20)24-16-14(19(21)22)9-6-11-3-2-10-18-15(11)16/h2-10H,1H3
InChIKey
QHUFSOJVTBCVKK-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.07462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08190 169.9
[M+Na]+ 347.06384 185.6
[M+NH4]+ 342.10844 177.1
[M+K]+ 363.03778 181.4
[M-H]- 323.06734 174.9
[M+Na-2H]- 345.04929 178.1
[M]+ 324.07407 173.5
[M]- 324.07517 173.5
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