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

0
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]+ 291.035356 161.4
[M+Na]+ 313.017298 174.5
[M-H]- 289.020804 167.7
[M+NH4]+ 308.061903 179.3
[M+K]+ 328.991238 168.1
[M+H-H2O]+ 273.025340 154.3
[M+HCOO]- 335.026281 175.9
[M+CH3COO]- 349.041931 174.6
[M+Na-2H]- 311.002746 165.0
[M]+ 290.02753142 169.5
[M]- 290.02862858 169.5
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

No patent data available for this compound.