CID 818255

4-chloro-2-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H5ClN2S
SMILES
CC1=NC2=C(C=CS2)C(=N1)Cl
InChI
InChI=1S/C7H5ClN2S/c1-4-9-6(8)5-2-3-11-7(5)10-4/h2-3H,1H3
InChIKey
VYUDXHRVZLZWMP-UHFFFAOYSA-N
Compound name
4-chloro-2-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

183.98619 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99347 132.9
[M+Na]+ 206.97541 148.8
[M+NH4]+ 202.02001 143.4
[M+K]+ 222.94935 140.5
[M-H]- 182.97891 135.5
[M+Na-2H]- 204.96086 140.3
[M]+ 183.98564 136.8
[M]- 183.98674 136.8
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