CID 12603004

Thienopyrimidine

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

145
References

11168
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.