CID 34386

Brn 1552521

Structural Information

Molecular Formula
C22H14N2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H14N2O4/c25-22(18-10-8-16(9-11-18)15-5-2-1-3-6-15)28-21-19(24(26)27)13-12-17-7-4-14-23-20(17)21/h1-14H
InChIKey
OTPVYUAUGOPUMD-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 4-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.09537 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10265 184.5
[M+Na]+ 393.08459 202.5
[M+NH4]+ 388.12919 192.6
[M+K]+ 409.05853 196.0
[M-H]- 369.08809 192.7
[M+Na-2H]- 391.07004 195.9
[M]+ 370.09482 189.5
[M]- 370.09592 189.5
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