CID 12285728

5-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H6N2S
SMILES
CC1=CSC2=NC=NC=C12
InChI
InChI=1S/C7H6N2S/c1-5-3-10-7-6(5)2-8-4-9-7/h2-4H,1H3
InChIKey
GJVFCZRRXPIYNY-UHFFFAOYSA-N
Compound name
5-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

150.02516 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.032436 124.8
[M+Na]+ 173.014378 137.5
[M-H]- 149.017884 128.2
[M+NH4]+ 168.058983 147.7
[M+K]+ 188.988318 134.5
[M+H-H2O]+ 133.022420 119.0
[M+HCOO]- 195.023361 144.7
[M+CH3COO]- 209.039011 140.2
[M+Na-2H]- 170.999826 131.5
[M]+ 150.02461142 129.0
[M]- 150.02570858 129.0
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