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
6
Annotation Hits

0
References

210
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 127.6
[M+Na]+ 175.03004 138.1
[M-H]- 151.03354 130.1
[M+NH4]+ 170.07464 150.1
[M+K]+ 191.00398 135.6
[M+H-H2O]+ 135.03808 121.6
[M+HCOO]- 197.03902 144.6
[M+CH3COO]- 211.05467 141.8
[M+Na-2H]- 173.01549 132.3
[M]+ 152.04027 128.9
[M]- 152.04137 128.9
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