CID 49761616

1241950-72-0

Structural Information

Molecular Formula
C22H36BFN2O2Si
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CN(C3=NC=C2F)[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C22H36BFN2O2Si/c1-14(2)29(15(3)4,16(5)6)26-12-11-17-19(18(24)13-25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3
InChIKey
OWHDYJCIAROBLN-UHFFFAOYSA-N
Compound name
[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

418.2623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.26958 197.9
[M+Na]+ 441.25152 207.6
[M+NH4]+ 436.29612 205.8
[M+K]+ 457.22546 203.8
[M-H]- 417.25502 200.1
[M+Na-2H]- 439.23697 201.3
[M]+ 418.26175 200.3
[M]- 418.26285 200.3
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