CID 16228599

1-{thieno[2,3-d]pyrimidin-4-yl}pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C1CC(N(C1)C2=C3C=CSC3=NC=N2)C(=O)O
InChI
InChI=1S/C11H11N3O2S/c15-11(16)8-2-1-4-14(8)9-7-3-5-17-10(7)13-6-12-9/h3,5-6,8H,1-2,4H2,(H,15,16)
InChIKey
SNQHAQGRGDHJFK-UHFFFAOYSA-N
Compound name
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 153.1
[M+Na]+ 272.04642 163.3
[M-H]- 248.04992 156.8
[M+NH4]+ 267.09102 171.1
[M+K]+ 288.02036 159.7
[M+H-H2O]+ 232.05446 146.4
[M+HCOO]- 294.05540 168.0
[M+CH3COO]- 308.07105 165.3
[M+Na-2H]- 270.03187 153.2
[M]+ 249.05665 155.1
[M]- 249.05775 155.1
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.