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

23
Patents

188.03343 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.040706 133.7
[M+Na]+ 211.022648 149.4
[M-H]- 187.026154 136.4
[M+NH4]+ 206.067253 154.3
[M+K]+ 226.996588 145.7
[M+H-H2O]+ 171.030690 126.4
[M+HCOO]- 233.031631 158.2
[M+CH3COO]- 247.047281 149.2
[M+Na-2H]- 209.008096 142.2
[M]+ 188.03288142 140.0
[M]- 188.03397858 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