CID 5372720

Alloxazine

Structural Information

Molecular Formula
C10H6N4O2
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)NC3=O
InChI
InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChIKey
HAUGRYOERYOXHX-UHFFFAOYSA-N
Compound name
1H-benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

512
References

3945
Patents

214.04907 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.056346 144.1
[M+Na]+ 237.038288 157.4
[M-H]- 213.041794 142.9
[M+NH4]+ 232.082893 158.3
[M+K]+ 253.012228 150.4
[M+H-H2O]+ 197.046330 135.6
[M+HCOO]- 259.047271 161.6
[M+CH3COO]- 273.062921 156.2
[M+Na-2H]- 235.023736 156.0
[M]+ 214.04852142 144.3
[M]- 214.04961858 144.3
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