CID 79501

5440-00-6

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CN1C(=C(C(=O)N(C1=O)C)N)N
InChI
InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3
InChIKey
BGQNOPFTJROKJE-UHFFFAOYSA-N
Compound name
5,6-diamino-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1049
Patents

170.08037 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 133.6
[M+Na]+ 193.06959 145.8
[M-H]- 169.07309 135.6
[M+NH4]+ 188.11419 151.5
[M+K]+ 209.04353 143.2
[M+H-H2O]+ 153.07763 127.0
[M+HCOO]- 215.07857 158.0
[M+CH3COO]- 229.09422 185.0
[M+Na-2H]- 191.05504 138.1
[M]+ 170.07982 133.4
[M]- 170.08092 133.4
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