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]+ 264.080126 157.8
[M+Na]+ 286.062068 168.4
[M-H]- 262.065574 161.7
[M+NH4]+ 281.106673 175.5
[M+K]+ 302.036008 164.5
[M+H-H2O]+ 246.070110 151.3
[M+HCOO]- 308.071051 172.4
[M+CH3COO]- 322.086701 169.9
[M+Na-2H]- 284.047516 156.8
[M]+ 263.07230142 160.5
[M]- 263.07339858 160.5
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.