CID 16227599

4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CC1=C(SC2=NC(=NC(=C12)N)CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C15H13N3O2S/c1-8-11-13(16)17-10(7-9-5-3-2-4-6-9)18-14(11)21-12(8)15(19)20/h2-6H,7H2,1H3,(H,19,20)(H2,16,17,18)
InChIKey
CPFGEADNEPPHBE-UHFFFAOYSA-N
Compound name
4-amino-2-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.07285 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 166.5
[M+Na]+ 322.06207 180.2
[M+NH4]+ 317.10667 174.1
[M+K]+ 338.03601 173.8
[M-H]- 298.06557 169.9
[M+Na-2H]- 320.04752 173.1
[M]+ 299.07230 169.9
[M]- 299.07340 169.9
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.