CID 42631346

941685-27-4

Structural Information

Molecular Formula
C15H21N5OSi
SMILES
C[Si](C)(C)CCOCN1C=CC2=C(N=CN=C21)C3=CNN=C3
InChI
InChI=1S/C15H21N5OSi/c1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19)
InChIKey
AVMLPTWVYQXRSV-UHFFFAOYSA-N
Compound name
trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

468
Patents

315.15155 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.158826 175.4
[M+Na]+ 338.140768 184.8
[M-H]- 314.144274 176.0
[M+NH4]+ 333.185373 187.8
[M+K]+ 354.114708 179.6
[M+H-H2O]+ 298.148810 165.4
[M+HCOO]- 360.149751 192.0
[M+CH3COO]- 374.165401 185.4
[M+Na-2H]- 336.126216 179.0
[M]+ 315.15100142 179.2
[M]- 315.15209858 179.2
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

patents stripe