CID 12603004

Thieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=CSC2=CN=CN=C21
InChI
InChI=1S/C6H4N2S/c1-2-9-6-3-7-4-8-5(1)6/h1-4H
InChIKey
RBNBDIMXFJYDLQ-UHFFFAOYSA-N
Compound name
thieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

144
References

11753
Patents

136.00952 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01680 120.2
[M+Na]+ 158.99874 132.5
[M-H]- 135.00224 123.4
[M+NH4]+ 154.04334 143.3
[M+K]+ 174.97268 129.7
[M+H-H2O]+ 119.00678 114.4
[M+HCOO]- 181.00772 140.5
[M+CH3COO]- 195.02337 135.7
[M+Na-2H]- 156.98419 128.1
[M]+ 136.00897 123.7
[M]- 136.01007 123.7
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