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]+ 291.03536 161.4
[M+Na]+ 313.01730 174.5
[M-H]- 289.02080 167.7
[M+NH4]+ 308.06190 179.3
[M+K]+ 328.99124 168.1
[M+H-H2O]+ 273.02534 154.3
[M+HCOO]- 335.02628 175.9
[M+CH3COO]- 349.04193 174.6
[M+Na-2H]- 311.00275 165.0
[M]+ 290.02753 169.5
[M]- 290.02863 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.