CID 381320

71477-21-9

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1=C(C(=CC2=C1NC(=O)C(=O)N2)N)N
InChI
InChI=1S/C8H8N4O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,9-10H2,(H,11,13)(H,12,14)
InChIKey
UQFVBUQKARNKBS-UHFFFAOYSA-N
Compound name
6,7-diamino-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.06473 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 138.2
[M+Na]+ 215.053948 149.3
[M-H]- 191.057454 138.0
[M+NH4]+ 210.098553 154.4
[M+K]+ 231.027888 143.8
[M+H-H2O]+ 175.061990 131.6
[M+HCOO]- 237.062931 158.9
[M+CH3COO]- 251.078581 182.9
[M+Na-2H]- 213.039396 145.1
[M]+ 192.06418142 133.7
[M]- 192.06527858 133.7
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