CID 11299680

4-chloro-5-[2-(trimethylsilyl)ethynyl]-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C11H12ClN3Si
SMILES
C[Si](C)(C)C#CC1=CNC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C11H12ClN3Si/c1-16(2,3)5-4-8-6-13-11-9(8)10(12)14-7-15-11/h6-7H,1-3H3,(H,13,14,15)
InChIKey
LUEXWAYNAPWKRW-UHFFFAOYSA-N
Compound name
2-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

249.0489 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05618 157.7
[M+Na]+ 272.03812 170.6
[M-H]- 248.04162 155.0
[M+NH4]+ 267.08272 172.7
[M+K]+ 288.01206 162.6
[M+H-H2O]+ 232.04616 143.9
[M+HCOO]- 294.04710 166.0
[M+CH3COO]- 308.06275 167.4
[M+Na-2H]- 270.02357 161.8
[M]+ 249.04835 154.2
[M]- 249.04945 154.2
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

patents stripe