CID 206984

Brn 1551410

Structural Information

Molecular Formula
C19H16N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O5/c1-2-12-25-15-8-5-14(6-9-15)19(22)26-18-16(21(23)24)10-7-13-4-3-11-20-17(13)18/h3-11H,2,12H2,1H3
InChIKey
NHXKRAHSYWQBBY-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-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 180.9
[M+Na]+ 375.09515 186.6
[M-H]- 351.09865 187.0
[M+NH4]+ 370.13975 191.9
[M+K]+ 391.06909 179.1
[M+H-H2O]+ 335.10319 175.3
[M+HCOO]- 397.10413 202.4
[M+CH3COO]- 411.11978 207.8
[M+Na-2H]- 373.08060 187.7
[M]+ 352.10538 183.2
[M]- 352.10648 183.2
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

patents stripe