CID 201648

6466-10-0

Structural Information

Molecular Formula
C17H28N4OS2
SMILES
CCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C
InChI
InChI=1S/C17H28N4OS2/c1-4-5-6-7-8-9-10-11-12-24-16-18-13-14(19-16)20(2)17(23)21(3)15(13)22/h4-12H2,1-3H3,(H,18,19)
InChIKey
QHQKXMOBJVNMNT-UHFFFAOYSA-N
Compound name
8-decylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17044 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17772 191.1
[M+Na]+ 391.15966 203.0
[M+NH4]+ 386.20426 196.7
[M+K]+ 407.13360 193.0
[M-H]- 367.16316 190.6
[M+Na-2H]- 389.14511 191.7
[M]+ 368.16989 193.5
[M]- 368.17099 193.5
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.