CID 3132414

1,3-dimethyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanylpurine-2,6-dione

Structural Information

Molecular Formula
C14H18N4O2S
SMILES
CC(=C)CN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C14H18N4O2S/c1-6-7-21-13-15-11-10(18(13)8-9(2)3)12(19)17(5)14(20)16(11)4/h6H,1-2,7-8H2,3-5H3
InChIKey
CQDXTKVNUNIORP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12233 175.1
[M+Na]+ 329.10427 188.4
[M+NH4]+ 324.14887 180.1
[M+K]+ 345.07821 182.1
[M-H]- 305.10777 173.8
[M+Na-2H]- 327.08972 176.8
[M]+ 306.11450 176.9
[M]- 306.11560 176.9
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.