CID 16227322

923817-86-1

Structural Information

Molecular Formula
C11H13N3O2S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)CC(=O)OC)C
InChI
InChI=1S/C11H13N3O2S/c1-5-6(2)17-11-9(5)10(12)13-7(14-11)4-8(15)16-3/h4H2,1-3H3,(H2,12,13,14)
InChIKey
PUZDUQRBQIHJQJ-UHFFFAOYSA-N
Compound name
methyl 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07285 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08013 155.7
[M+Na]+ 274.06207 167.7
[M+NH4]+ 269.10667 163.1
[M+K]+ 290.03601 162.3
[M-H]- 250.06557 156.8
[M+Na-2H]- 272.04752 159.5
[M]+ 251.07230 158.1
[M]- 251.07340 158.1
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.