CID 135705604

40915-86-4

Structural Information

Molecular Formula
C12H17N3OS
SMILES
CC(C)C1=C2C(=O)NC(=NC2=NS1)C(C)(C)C
InChI
InChI=1S/C12H17N3OS/c1-6(2)8-7-9(15-17-8)13-11(12(3,4)5)14-10(7)16/h6H,1-5H3,(H,13,14,15,16)
InChIKey
VDGPSIMLGXDPQE-UHFFFAOYSA-N
Compound name
6-tert-butyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.10924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11652 158.1
[M+Na]+ 274.09846 169.9
[M-H]- 250.10196 158.9
[M+NH4]+ 269.14306 175.2
[M+K]+ 290.07240 165.3
[M+H-H2O]+ 234.10650 152.1
[M+HCOO]- 296.10744 171.1
[M+CH3COO]- 310.12309 192.1
[M+Na-2H]- 272.08391 160.0
[M]+ 251.10869 162.9
[M]- 251.10979 162.9
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

patents stripe