CID 63617383

1-{6-methylthieno[2,3-d]pyrimidin-4-yl}pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
CC1=CC2=C(N=CN=C2S1)N3CCCC3C(=O)O
InChI
InChI=1S/C12H13N3O2S/c1-7-5-8-10(13-6-14-11(8)18-7)15-4-2-3-9(15)12(16)17/h5-6,9H,2-4H2,1H3,(H,16,17)
InChIKey
WHNRXUYFYVCDNG-UHFFFAOYSA-N
Compound name
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07285 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 157.6
[M+Na]+ 286.06207 169.1
[M+NH4]+ 281.10667 165.1
[M+K]+ 302.03601 165.5
[M-H]- 262.06557 158.9
[M+Na-2H]- 284.04752 161.8
[M]+ 263.07230 159.8
[M]- 263.07340 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.