CID 206725

28557-25-7

Structural Information

Molecular Formula
C12H15N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCN(C3=N2)CC=C
InChI
InChI=1S/C12H15N5O2/c1-4-5-16-6-7-17-8-9(13-11(16)17)14(2)12(19)15(3)10(8)18/h4H,1,5-7H2,2-3H3
InChIKey
NAZQXTHWEFCOOX-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1226 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 160.9
[M+Na]+ 284.11182 175.5
[M-H]- 260.11532 161.8
[M+NH4]+ 279.15642 177.6
[M+K]+ 300.08576 170.3
[M+H-H2O]+ 244.11986 152.9
[M+HCOO]- 306.12080 179.6
[M+CH3COO]- 320.13645 173.5
[M+Na-2H]- 282.09727 162.6
[M]+ 261.12205 166.5
[M]- 261.12315 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.