CID 1124656

332381-20-1

Structural Information

Molecular Formula
C23H16N2O5
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H16N2O5/c1-29-17-10-6-15(7-11-17)22-14-20(19-4-2-3-5-21(19)24-22)23(26)30-18-12-8-16(9-13-18)25(27)28/h2-14H,1H3
InChIKey
CMMTZVMUXCFFDL-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

400.10593 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11321 194.4
[M+Na]+ 423.09515 199.7
[M-H]- 399.09865 203.4
[M+NH4]+ 418.13975 202.6
[M+K]+ 439.06909 191.2
[M+H-H2O]+ 383.10319 186.8
[M+HCOO]- 445.10413 215.1
[M+CH3COO]- 459.11978 217.2
[M+Na-2H]- 421.08060 200.6
[M]+ 400.10538 195.3
[M]- 400.10648 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.