CID 207009

Brn 1555401

Structural Information

Molecular Formula
C22H14N2O5
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H14N2O5/c25-22(17-10-4-5-11-19(17)28-16-8-2-1-3-9-16)29-21-18(24(26)27)13-12-15-7-6-14-23-20(15)21/h1-14H
InChIKey
MAMDPVJZFOJMNG-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 2-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 187.5
[M+Na]+ 409.07949 205.0
[M+NH4]+ 404.12409 195.0
[M+K]+ 425.05343 199.0
[M-H]- 385.08299 195.3
[M+Na-2H]- 407.06494 198.4
[M]+ 386.08972 192.3
[M]- 386.09082 192.3
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