CID 12630334

1,4,7,10-tetraazatricyclo[7.3.0.0,3,7]dodeca-3,5,9,11-tetraene-2,8-dione

Structural Information

Molecular Formula
C8H4N4O2
SMILES
C1=CN2C(=N1)C(=O)N3C=CN=C3C2=O
InChI
InChI=1S/C8H4N4O2/c13-7-5-9-1-3-11(5)8(14)6-10-2-4-12(6)7/h1-4H
InChIKey
SCHCQSDINJJQCW-UHFFFAOYSA-N
Compound name
1,4,7,10-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

188.03343 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04071 133.7
[M+Na]+ 211.02265 149.4
[M-H]- 187.02615 136.4
[M+NH4]+ 206.06725 154.3
[M+K]+ 226.99659 145.7
[M+H-H2O]+ 171.03069 126.4
[M+HCOO]- 233.03163 158.2
[M+CH3COO]- 247.04728 149.2
[M+Na-2H]- 209.00810 142.2
[M]+ 188.03288 140.0
[M]- 188.03398 140.0
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

patents stripe