CID 89488393

1429906-71-7

Structural Information

Molecular Formula
C20H30BN3O3Si
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=N3)C#N)COCC[Si](C)(C)C
InChI
InChI=1S/C20H30BN3O3Si/c1-19(2)20(3,4)27-21(26-19)17-13-24(14-25-8-9-28(5,6)7)18-16(17)10-15(11-22)12-23-18/h10,12-13H,8-9,14H2,1-7H3
InChIKey
STDWRIGLQPGUTP-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

399.21494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22222 186.7
[M+Na]+ 422.20416 199.0
[M-H]- 398.20766 191.7
[M+NH4]+ 417.24876 200.7
[M+K]+ 438.17810 194.3
[M+H-H2O]+ 382.21220 173.4
[M+HCOO]- 444.21314 199.7
[M+CH3COO]- 458.22879 229.5
[M+Na-2H]- 420.18961 188.9
[M]+ 399.21439 189.8
[M]- 399.21549 189.8
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