CID 2863266

329700-88-1

Structural Information

Molecular Formula
C16H24N4O2S
SMILES
CCCCCCCCN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C
InChI
InChI=1S/C16H24N4O2S/c1-3-4-5-6-7-8-9-20-14(21)12-13(18(2)16(20)22)17-15-19(12)10-11-23-15/h3-11H2,1-2H3
InChIKey
QKOOKYJEXPQXLA-UHFFFAOYSA-N
Compound name
4-methyl-2-octyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.162 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16928 182.2
[M+Na]+ 359.15122 194.2
[M+NH4]+ 354.19582 188.4
[M+K]+ 375.12516 188.6
[M-H]- 335.15472 181.6
[M+Na-2H]- 357.13667 183.1
[M]+ 336.16145 184.0
[M]- 336.16255 184.0
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.