CID 135400705

6-tert-butyl-3h-thieno[3,2-d]pyrimidin-4-one

Structural Information

Molecular Formula
C10H12N2OS
SMILES
CC(C)(C)C1=CC2=C(S1)C(=O)NC=N2
InChI
InChI=1S/C10H12N2OS/c1-10(2,3)7-4-6-8(14-7)9(13)12-5-11-6/h4-5H,1-3H3,(H,11,12,13)
InChIKey
AMEMLELAMQEAIA-UHFFFAOYSA-N
Compound name
6-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7815
Patents

208.06703 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 144.7
[M+Na]+ 231.056248 156.9
[M-H]- 207.059754 146.8
[M+NH4]+ 226.100853 164.7
[M+K]+ 247.030188 152.4
[M+H-H2O]+ 191.064290 139.4
[M+HCOO]- 253.065231 160.8
[M+CH3COO]- 267.080881 181.2
[M+Na-2H]- 229.041696 149.4
[M]+ 208.06648142 148.5
[M]- 208.06757858 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe