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

162
Patents

152.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 127.6
[M+Na]+ 175.030038 138.1
[M-H]- 151.033544 130.1
[M+NH4]+ 170.074643 150.1
[M+K]+ 191.003978 135.6
[M+H-H2O]+ 135.038080 121.6
[M+HCOO]- 197.039021 144.6
[M+CH3COO]- 211.054671 141.8
[M+Na-2H]- 173.015486 132.3
[M]+ 152.04027142 128.9
[M]- 152.04136858 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