CID 257715

6439-85-6

Structural Information

Molecular Formula
C12H12N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C3C(=N2)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C12H12N6O4/c1-15-7-5(9(19)17(3)11(15)21)13-6-8(14-7)16(2)12(22)18(4)10(6)20/h1-4H3
InChIKey
PATBXKKMHRDFHF-UHFFFAOYSA-N
Compound name
1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.092 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09928 173.8
[M+Na]+ 327.08122 192.1
[M-H]- 303.08472 174.3
[M+NH4]+ 322.12582 184.0
[M+K]+ 343.05516 185.6
[M+H-H2O]+ 287.08926 164.1
[M+HCOO]- 349.09020 190.6
[M+CH3COO]- 363.10585 209.8
[M+Na-2H]- 325.06667 179.9
[M]+ 304.09145 182.6
[M]- 304.09255 182.6
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

patents stripe