CID 479331

5a-hydroindolino[1,2-a]pyrimidino[4,5-d]pyrimidine-5,10-dione

Structural Information

Molecular Formula
C13H6N4O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=NC=NC=C4C(=O)N23
InChI
InChI=1S/C13H6N4O2/c18-10-7-3-1-2-4-9(7)17-12(10)16-11-8(13(17)19)5-14-6-15-11/h1-6H
InChIKey
CPKBEASOEOAUBB-UHFFFAOYSA-N
Compound name
2,4,6,10-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04907 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05635 154.0
[M+Na]+ 273.03829 167.7
[M-H]- 249.04179 156.4
[M+NH4]+ 268.08289 170.8
[M+K]+ 289.01223 161.7
[M+H-H2O]+ 233.04633 144.7
[M+HCOO]- 295.04727 172.5
[M+CH3COO]- 309.06292 166.7
[M+Na-2H]- 271.02374 162.8
[M]+ 250.04852 157.3
[M]- 250.04962 157.3
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.