CID 723148

3-amino-2-ethyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C12H15N3OS
SMILES
CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N
InChI
InChI=1S/C12H15N3OS/c1-2-9-14-11-10(12(16)15(9)13)7-5-3-4-6-8(7)17-11/h2-6,13H2,1H3
InChIKey
JTUOIPZAMZSVTD-UHFFFAOYSA-N
Compound name
3-amino-2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09358 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10086 152.5
[M+Na]+ 272.08280 163.9
[M-H]- 248.08630 155.7
[M+NH4]+ 267.12740 172.0
[M+K]+ 288.05674 158.7
[M+H-H2O]+ 232.09084 146.2
[M+HCOO]- 294.09178 168.3
[M+CH3COO]- 308.10743 165.1
[M+Na-2H]- 270.06825 155.7
[M]+ 249.09303 154.8
[M]- 249.09413 154.8
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.