CID 61951

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

Structural Information

Molecular Formula
C7H8N2S
SMILES
CC1=NC=C2CSCC2=N1
InChI
InChI=1S/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3
InChIKey
XSUYIZJJKIKWFN-UHFFFAOYSA-N
Compound name
2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

201
Patents

152.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.7
[M+Na]+ 175.03004 141.6
[M+NH4]+ 170.07464 139.0
[M+K]+ 191.00398 134.5
[M-H]- 151.03354 130.9
[M+Na-2H]- 173.01549 134.6
[M]+ 152.04027 131.7
[M]- 152.04137 131.7
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