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 157.8
[M+Na]+ 286.06207 168.4
[M-H]- 262.06557 161.7
[M+NH4]+ 281.10667 175.5
[M+K]+ 302.03601 164.5
[M+H-H2O]+ 246.07011 151.3
[M+HCOO]- 308.07105 172.4
[M+CH3COO]- 322.08670 169.9
[M+Na-2H]- 284.04752 156.8
[M]+ 263.07230 160.5
[M]- 263.07340 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.