CID 2757656

4-chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C13H9ClN2OS
SMILES
COC1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)Cl
InChI
InChI=1S/C13H9ClN2OS/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3
InChIKey
CDCQRLZNZDBDIV-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

276.01242 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01970 157.3
[M+Na]+ 299.00164 174.9
[M+NH4]+ 294.04624 167.5
[M+K]+ 314.97558 165.4
[M-H]- 275.00514 162.1
[M+Na-2H]- 296.98709 166.8
[M]+ 276.01187 162.2
[M]- 276.01297 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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