CID 47002660

4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C14H11ClN2OS
SMILES
COCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=N1)Cl
InChI
InChI=1S/C14H11ClN2OS/c1-18-7-11-16-13(15)12-10(8-19-14(12)17-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
LGEYDTOXPHBQJZ-UHFFFAOYSA-N
Compound name
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

290.02808 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03536 161.8
[M+Na]+ 313.01730 179.3
[M+NH4]+ 308.06190 171.9
[M+K]+ 328.99124 169.5
[M-H]- 289.02080 166.6
[M+Na-2H]- 311.00275 171.0
[M]+ 290.02753 166.7
[M]- 290.02863 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.