CID 512191

301688-22-2

Structural Information

Molecular Formula
C11H9N3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1N
InChI
InChI=1S/C11H9N3O2S/c1-6-13-10-9(11(15)14(6)12)7(5-17-10)8-3-2-4-16-8/h2-5H,12H2,1H3
InChIKey
SUHVYKWQQDDZRK-UHFFFAOYSA-N
Compound name
3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.04155 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04883 150.7
[M+Na]+ 270.03077 164.9
[M-H]- 246.03427 158.7
[M+NH4]+ 265.07537 169.9
[M+K]+ 286.00471 161.5
[M+H-H2O]+ 230.03881 145.0
[M+HCOO]- 292.03975 171.8
[M+CH3COO]- 306.05540 165.6
[M+Na-2H]- 268.01622 153.2
[M]+ 247.04100 157.1
[M]- 247.04210 157.1
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.