CID 704026

4-chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C13H9ClN2S
SMILES
CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)Cl
InChI
InChI=1S/C13H9ClN2S/c1-8-15-12(14)10-7-11(17-13(10)16-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
BPICMBSKTMUFHY-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

260.0175 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02478 153.9
[M+Na]+ 283.00672 172.1
[M+NH4]+ 278.05132 164.7
[M+K]+ 298.98066 162.0
[M-H]- 259.01022 159.3
[M+Na-2H]- 280.99217 163.8
[M]+ 260.01695 159.1
[M]- 260.01805 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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