CID 9903685

Pnqx

Structural Information

Molecular Formula
C12H12N4O4
SMILES
CN1CCC2=C(C=C3C(=C2C1)NC(=O)C(=O)N3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O4/c1-15-3-2-6-7(5-15)10-8(4-9(6)16(19)20)13-11(17)12(18)14-10/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)
InChIKey
GDSGJOIKTYTOQG-UHFFFAOYSA-N
Compound name
9-methyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

202
Patents

276.08585 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09313 156.8
[M+Na]+ 299.07507 170.8
[M+NH4]+ 294.11967 162.8
[M+K]+ 315.04901 168.1
[M-H]- 275.07857 157.8
[M+Na-2H]- 297.06052 159.9
[M]+ 276.08530 158.7
[M]- 276.08640 158.7
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

patents stripe