CID 647613

690702-08-0

Structural Information

Molecular Formula
C11H13N3O2S
SMILES
CCC1=CC2=C(N=CN=C2S1)NCCC(=O)O
InChI
InChI=1S/C11H13N3O2S/c1-2-7-5-8-10(12-4-3-9(15)16)13-6-14-11(8)17-7/h5-6H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKey
FRKLHYPYUBUYJK-UHFFFAOYSA-N
Compound name
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

251.07285 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08013 154.3
[M+Na]+ 274.06207 165.3
[M+NH4]+ 269.10667 161.5
[M+K]+ 290.03601 159.6
[M-H]- 250.06557 154.9
[M+Na-2H]- 272.04752 158.6
[M]+ 251.07230 156.3
[M]- 251.07340 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.