CID 45361777

1072152-34-1

Structural Information

Molecular Formula
C22H36BClN2O2Si
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CN(C3=NC=C2Cl)[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C22H36BClN2O2Si/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
SDKUECRBPCPNKK-UHFFFAOYSA-N
Compound name
[5-chloro-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

14
Patents

434.23276 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.24004 200.2
[M+Na]+ 457.22198 209.4
[M-H]- 433.22548 207.2
[M+NH4]+ 452.26658 215.7
[M+K]+ 473.19592 207.0
[M+H-H2O]+ 417.23002 195.4
[M+HCOO]- 479.23096 208.0
[M+CH3COO]- 493.24661 230.3
[M+Na-2H]- 455.20743 197.8
[M]+ 434.23221 209.2
[M]- 434.23331 209.2
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