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 186.3
[M+Na]+ 393.08459 191.6
[M-H]- 369.08809 195.2
[M+NH4]+ 388.12919 195.7
[M+K]+ 409.05853 182.4
[M+H-H2O]+ 353.09263 179.1
[M+HCOO]- 415.09357 207.4
[M+CH3COO]- 429.10922 211.0
[M+Na-2H]- 391.07004 193.5
[M]+ 370.09482 185.3
[M]- 370.09592 185.3
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