CID 12285728

5-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H6N2S
SMILES
CC1=CSC2=NC=NC=C12
InChI
InChI=1S/C7H6N2S/c1-5-3-10-7-6(5)2-8-4-9-7/h2-4H,1H3
InChIKey
GJVFCZRRXPIYNY-UHFFFAOYSA-N
Compound name
5-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

150.02516 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 124.8
[M+Na]+ 173.01438 137.5
[M-H]- 149.01788 128.2
[M+NH4]+ 168.05898 147.7
[M+K]+ 188.98832 134.5
[M+H-H2O]+ 133.02242 119.0
[M+HCOO]- 195.02336 144.7
[M+CH3COO]- 209.03901 140.2
[M+Na-2H]- 170.99983 131.5
[M]+ 150.02461 129.0
[M]- 150.02571 129.0
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

patents stripe