CID 6252815

794-44-5

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=[N+]2[O-])/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O4/c18-16-12(6-5-11-3-1-2-4-14(11)16)7-8-13-9-10-15(21-13)17(19)20/h1-10H/b8-7+
InChIKey
GXSWRHMJLQSDGW-BQYQJAHWSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1-oxidoquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 165.6
[M+Na]+ 305.053278 173.3
[M-H]- 281.056784 171.9
[M+NH4]+ 300.097883 178.9
[M+K]+ 321.027218 160.8
[M+H-H2O]+ 265.061320 166.5
[M+HCOO]- 327.062261 188.7
[M+CH3COO]- 341.077911 184.4
[M+Na-2H]- 303.038726 175.4
[M]+ 282.06351142 164.5
[M]- 282.06460858 164.5
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.