CID 206999

Brn 1555403

Structural Information

Molecular Formula
C22H14N2O5
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H14N2O5/c25-22(16-6-4-10-18(14-16)28-17-8-2-1-3-9-17)29-21-19(24(26)27)12-11-15-7-5-13-23-20(15)21/h1-14H
InChIKey
JNQLIXQUMIIESZ-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 3-phenoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.09027 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09755 189.2
[M+Na]+ 409.07949 194.1
[M-H]- 385.08299 198.0
[M+NH4]+ 404.12409 197.7
[M+K]+ 425.05343 185.7
[M+H-H2O]+ 369.08753 181.7
[M+HCOO]- 431.08847 210.3
[M+CH3COO]- 445.10412 213.1
[M+Na-2H]- 407.06494 196.6
[M]+ 386.08972 189.4
[M]- 386.09082 189.4
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

patents stripe