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 180.5
[M+Na]+ 359.15122 192.9
[M-H]- 335.15472 182.0
[M+NH4]+ 354.19582 196.4
[M+K]+ 375.12516 187.4
[M+H-H2O]+ 319.15926 173.4
[M+HCOO]- 381.16020 194.6
[M+CH3COO]- 395.17585 210.5
[M+Na-2H]- 357.13667 178.6
[M]+ 336.16145 190.0
[M]- 336.16255 190.0
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.