CID 135454721

492-10-4

Structural Information

Molecular Formula
C7H7N5O2
SMILES
CC1=NC2=C(C(=O)NC(=N2)N)NC1=O
InChI
InChI=1S/C7H7N5O2/c1-2-5(13)10-3-4(9-2)11-7(8)12-6(3)14/h1H3,(H,10,13)(H3,8,9,11,12,14)
InChIKey
QHJGJOBIIBEJNN-UHFFFAOYSA-N
Compound name
2-amino-7-methyl-3,5-dihydropteridine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.05997 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.067246 141.5
[M+Na]+ 216.049188 153.9
[M-H]- 192.052694 139.1
[M+NH4]+ 211.093793 155.4
[M+K]+ 232.023128 148.2
[M+H-H2O]+ 176.057230 133.8
[M+HCOO]- 238.058171 159.3
[M+CH3COO]- 252.073821 153.3
[M+Na-2H]- 214.034636 149.3
[M]+ 193.05942142 139.2
[M]- 193.06051858 139.2
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