CID 405801

6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1CC2=C(C1)SC3=NC=NC(=C23)N
InChI
InChI=1S/C9H9N3S/c10-8-7-5-2-1-3-6(5)13-9(7)12-4-11-8/h4H,1-3H2,(H2,10,11,12)
InChIKey
VHROFEHOOFIVDR-UHFFFAOYSA-N
Compound name
7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

191.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 136.2
[M+Na]+ 214.04093 148.4
[M+NH4]+ 209.08553 146.5
[M+K]+ 230.01487 143.4
[M-H]- 190.04443 138.9
[M+Na-2H]- 212.02638 141.4
[M]+ 191.05116 139.1
[M]- 191.05226 139.1
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