CID 79796

4-chloro-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine

Structural Information

Molecular Formula
C7H7ClN2S
SMILES
CC1=NC2=C(CSC2)C(=N1)Cl
InChI
InChI=1S/C7H7ClN2S/c1-4-9-6-3-11-2-5(6)7(8)10-4/h2-3H2,1H3
InChIKey
RYAXUNIIQRQNMK-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

186.00185 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00913 134.2
[M+Na]+ 208.99107 146.1
[M-H]- 184.99457 136.8
[M+NH4]+ 204.03567 156.3
[M+K]+ 224.96501 141.9
[M+H-H2O]+ 168.99911 128.9
[M+HCOO]- 231.00005 146.4
[M+CH3COO]- 245.01570 148.2
[M+Na-2H]- 206.97652 137.6
[M]+ 186.00130 137.5
[M]- 186.00240 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