CID 6447409

Brn 4574015

Structural Information

Molecular Formula
C18H14N2O6
SMILES
CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O6/c1-11(21)25-17-13-5-3-4-6-15(13)19(2)18(22)14(17)9-7-12-8-10-16(26-12)20(23)24/h3-10H,1-2H3/b9-7+
InChIKey
UOPORHIJQGDNTQ-VQHVLOKHSA-N
Compound name
[1-methyl-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08517 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09245 180.0
[M+Na]+ 377.07439 189.4
[M-H]- 353.07789 188.5
[M+NH4]+ 372.11899 192.2
[M+K]+ 393.04833 182.5
[M+H-H2O]+ 337.08243 176.2
[M+HCOO]- 399.08337 203.6
[M+CH3COO]- 413.09902 206.8
[M+Na-2H]- 375.05984 185.4
[M]+ 354.08462 185.5
[M]- 354.08572 185.5
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

No patent data available for this compound.