CID 199204

T(sub 27)

Structural Information

Molecular Formula
C11H17N4O2S
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[S+](C)C
InChI
InChI=1S/C11H17N4O2S/c1-13-9-8(10(16)14(2)11(13)17)15(7-12-9)5-6-18(3)4/h7H,5-6H2,1-4H3/q+1
InChIKey
ORDQRGLGDJLAGY-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-dimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1072 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11448 158.6
[M+Na]+ 292.09642 174.1
[M+NH4]+ 287.14102 165.8
[M+K]+ 308.07036 169.2
[M-H]- 268.09992 159.6
[M+Na-2H]- 290.08187 162.8
[M]+ 269.10665 161.8
[M]- 269.10775 161.8
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.