CID 206985

Brn 1555798

Structural Information

Molecular Formula
C23H16N2O5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H16N2O5/c26-23(18-8-11-19(12-9-18)29-15-16-5-2-1-3-6-16)30-22-20(25(27)28)13-10-17-7-4-14-24-21(17)22/h1-14H,15H2
InChIKey
UUXWXUGUWYZKDZ-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.10593 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11321 193.9
[M+Na]+ 423.09515 198.3
[M-H]- 399.09865 202.5
[M+NH4]+ 418.13975 201.8
[M+K]+ 439.06909 189.8
[M+H-H2O]+ 383.10319 186.1
[M+HCOO]- 445.10413 214.7
[M+CH3COO]- 459.11978 216.0
[M+Na-2H]- 421.08060 200.7
[M]+ 400.10538 194.4
[M]- 400.10648 194.4
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

No patent data available for this compound.