CID 381274

Nsc667710

Structural Information

Molecular Formula
C11H6N4O3
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C3=NC=CN=C3NC2=O
InChI
InChI=1S/C11H6N4O3/c16-11-6-2-1-3-7(15(17)18)8(6)9-10(14-11)13-5-4-12-9/h1-5H,(H,13,14,16)
InChIKey
XHPYLHQTBGRZHN-UHFFFAOYSA-N
Compound name
10-nitro-5H-pyrazino[2,3-c]isoquinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04399 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05127 145.9
[M+Na]+ 265.03321 156.7
[M-H]- 241.03671 147.3
[M+NH4]+ 260.07781 159.9
[M+K]+ 281.00715 147.3
[M+H-H2O]+ 225.04125 141.7
[M+HCOO]- 287.04219 166.6
[M+CH3COO]- 301.05784 184.3
[M+Na-2H]- 263.01866 159.8
[M]+ 242.04344 145.6
[M]- 242.04454 145.6
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

No patent data available for this compound.