CID 34411

Brn 1552541

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O5/c1-2-3-13-26-16-9-6-15(7-10-16)20(23)27-19-17(22(24)25)11-8-14-5-4-12-21-18(14)19/h4-12H,2-3,13H2,1H3
InChIKey
HPTQWPVTUCKCIV-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.12158 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 183.5
[M+Na]+ 389.11080 198.6
[M+NH4]+ 384.15540 190.2
[M+K]+ 405.08474 193.7
[M-H]- 365.11430 188.4
[M+Na-2H]- 387.09625 191.0
[M]+ 366.12103 187.0
[M]- 366.12213 187.0
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