CID 510570

1,4-dihydroxy-7-methoxy-3-methylquinoxalin-2-yl phenyl ketone

Structural Information

Molecular Formula
C17H14N2O4
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O4/c1-11-16(17(20)12-6-4-3-5-7-12)19(22)15-10-13(23-2)8-9-14(15)18(11)21/h3-10H,1-2H3
InChIKey
ROYUBYXRBWLGMA-UHFFFAOYSA-N
Compound name
(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.09537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 170.7
[M+Na]+ 333.08459 180.2
[M-H]- 309.08809 175.3
[M+NH4]+ 328.12919 182.6
[M+K]+ 349.05853 170.9
[M+H-H2O]+ 293.09263 165.7
[M+HCOO]- 355.09357 189.9
[M+CH3COO]- 369.10922 197.5
[M+Na-2H]- 331.07004 177.3
[M]+ 310.09482 171.9
[M]- 310.09592 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.