CID 290225

4-chloro-5-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H5ClN2S
SMILES
CC1=CSC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H5ClN2S/c1-4-2-11-7-5(4)6(8)9-3-10-7/h2-3H,1H3
InChIKey
UAIXPCWTEUFSNI-UHFFFAOYSA-N
Compound name
4-chloro-5-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

230
Patents

183.98619 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.993466 131.3
[M+Na]+ 206.975408 145.3
[M-H]- 182.978914 134.7
[M+NH4]+ 202.020013 153.8
[M+K]+ 222.949348 140.6
[M+H-H2O]+ 166.983450 126.1
[M+HCOO]- 228.984391 146.3
[M+CH3COO]- 243.000041 146.5
[M+Na-2H]- 204.960856 136.7
[M]+ 183.98564142 137.5
[M]- 183.98673858 137.5
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