CID 34465

Brn 1551408

Structural Information

Molecular Formula
C19H16N2O5
SMILES
CCCOC1=CC=CC(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O5/c1-2-11-25-15-7-3-5-14(12-15)19(22)26-18-16(21(23)24)9-8-13-6-4-10-20-17(13)18/h3-10,12H,2,11H2,1H3
InChIKey
FKDAWRAVHQGYPL-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 3-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.10593 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 179.0
[M+Na]+ 375.09515 194.3
[M+NH4]+ 370.13975 185.8
[M+K]+ 391.06909 189.6
[M-H]- 351.09865 183.9
[M+Na-2H]- 373.08060 186.7
[M]+ 352.10538 182.5
[M]- 352.10648 182.5
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