CID 34430

Brn 1547144

Structural Information

Molecular Formula
C14H8N2O5
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CO3)N=C1
InChI
InChI=1S/C14H8N2O5/c17-14(11-4-2-8-20-11)21-13-10(16(18)19)6-5-9-3-1-7-15-12(9)13/h1-8H
InChIKey
YUBNVNUSYXXXFX-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.04333 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05061 158.6
[M+Na]+ 307.03255 166.9
[M-H]- 283.03605 166.6
[M+NH4]+ 302.07715 173.1
[M+K]+ 323.00649 161.2
[M+H-H2O]+ 267.04059 155.0
[M+HCOO]- 329.04153 183.3
[M+CH3COO]- 343.05718 191.4
[M+Na-2H]- 305.01800 167.9
[M]+ 284.04278 161.8
[M]- 284.04388 161.8
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

No patent data available for this compound.