CID 22674459

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

Structural Information

Molecular Formula
C7H5ClN2S
SMILES
CC1=NC2=C(C(=N1)Cl)SC=C2
InChI
InChI=1S/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3
InChIKey
OSAOHHSXWALXET-UHFFFAOYSA-N
Compound name
4-chloro-2-methylthieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

183.98619 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99347 131.3
[M+Na]+ 206.97541 145.3
[M-H]- 182.97891 134.7
[M+NH4]+ 202.02001 153.8
[M+K]+ 222.94935 140.6
[M+H-H2O]+ 166.98345 126.1
[M+HCOO]- 228.98439 146.3
[M+CH3COO]- 243.00004 146.5
[M+Na-2H]- 204.96086 136.7
[M]+ 183.98564 137.5
[M]- 183.98674 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

No literature data available for this compound.

Patent stripe

patents stripe