CID 162342139

2351135-11-8

Structural Information

Molecular Formula
C20H28N6O5
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)[N+](=C3C(=N2)N(C(=O)N(C3=O)CCC)CCC)[O-]
InChI
InChI=1S/C20H28N6O5/c1-5-9-22-15-13(17(27)24(11-7-3)19(22)29)26(31)14-16(21-15)23(10-6-2)20(30)25(12-8-4)18(14)28/h5-12H2,1-4H3
InChIKey
DLLJNRRCONSELA-UHFFFAOYSA-N
Compound name
5-oxido-1,3,7,9-tetrapropylpyrimido[5,4-g]pteridin-5-ium-2,4,6,8-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.21213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21941 212.4
[M+Na]+ 455.20135 225.7
[M-H]- 431.20485 210.7
[M+NH4]+ 450.24595 216.3
[M+K]+ 471.17529 213.1
[M+H-H2O]+ 415.20939 205.5
[M+HCOO]- 477.21033 225.3
[M+CH3COO]- 491.22598 225.5
[M+Na-2H]- 453.18680 216.8
[M]+ 432.21158 220.6
[M]- 432.21268 220.6
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

No patent data available for this compound.