CID 379345

3-methyl-1h-pteridine-2,4-dione

Structural Information

Molecular Formula
C7H6N4O2
SMILES
CN1C(=O)C2=NC=CN=C2NC1=O
InChI
InChI=1S/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-3H,1H3,(H,9,10,13)
InChIKey
UYXLCEIIVQGXBU-UHFFFAOYSA-N
Compound name
3-methyl-1H-pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.04907 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05635 135.3
[M+Na]+ 201.03829 148.1
[M-H]- 177.04179 134.3
[M+NH4]+ 196.08289 150.8
[M+K]+ 217.01223 143.7
[M+H-H2O]+ 161.04633 127.3
[M+HCOO]- 223.04727 154.2
[M+CH3COO]- 237.06292 148.3
[M+Na-2H]- 199.02374 145.0
[M]+ 178.04852 136.1
[M]- 178.04962 136.1
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