CID 6446220

Brn 1502545

Structural Information

Molecular Formula
C17H12N2O5
SMILES
C/C(=C\C1=CC=CO1)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O5/c1-11(10-13-5-3-9-23-13)17(20)24-16-14(19(21)22)7-6-12-4-2-8-18-15(12)16/h2-10H,1H3/b11-10+
InChIKey
DGKBTQMGMYYWMT-ZHACJKMWSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(furan-2-yl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.07462 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08190 172.6
[M+Na]+ 347.06384 179.5
[M-H]- 323.06734 180.2
[M+NH4]+ 342.10844 185.3
[M+K]+ 363.03778 173.2
[M+H-H2O]+ 307.07188 168.6
[M+HCOO]- 369.07282 195.4
[M+CH3COO]- 383.08847 199.6
[M+Na-2H]- 345.04929 179.1
[M]+ 324.07407 175.3
[M]- 324.07517 175.3
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

No patent data available for this compound.