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]+ 250.064476 153.1
[M+Na]+ 272.046418 163.3
[M-H]- 248.049924 156.8
[M+NH4]+ 267.091023 171.1
[M+K]+ 288.020358 159.7
[M+H-H2O]+ 232.054460 146.4
[M+HCOO]- 294.055401 168.0
[M+CH3COO]- 308.071051 165.3
[M+Na-2H]- 270.031866 153.2
[M]+ 249.05665142 155.1
[M]- 249.05774858 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.