CID 290232

5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C8H9N3S
SMILES
CC1=C(SC2=NC=NC(=C12)N)C
InChI
InChI=1S/C8H9N3S/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H2,9,10,11)
InChIKey
DJXOGZDFPCBFPP-UHFFFAOYSA-N
Compound name
5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

54
Patents

179.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 133.8
[M+Na]+ 202.04093 146.8
[M-H]- 178.04443 137.0
[M+NH4]+ 197.08553 155.3
[M+K]+ 218.01487 142.7
[M+H-H2O]+ 162.04897 127.9
[M+HCOO]- 224.04991 153.5
[M+CH3COO]- 238.06556 148.5
[M+Na-2H]- 200.02638 138.2
[M]+ 179.05116 137.4
[M]- 179.05226 137.4
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

patents stripe