CID 11473655

640735-24-6

Structural Information

Molecular Formula

C₁₆H₂₅BrN₂Si

SMILES

CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C=CN=C21)Br

InChI

InChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19/h7-13H,1-6H3

InChIKey

QSEMMUYKUYKNBI-UHFFFAOYSA-N

Compound name

(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 352.09705 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.104326	179.8
[M+Na]+	375.086268	190.6
[M-H]-	351.089774	184.6
[M+NH4]+	370.130873	198.1
[M+K]+	391.060208	179.2
[M+H-H2O]+	335.094310	178.9
[M+HCOO]-	397.095251	194.4
[M+CH3COO]-	411.110901	211.6
[M+Na-2H]-	373.071716	181.9
[M]+	352.09650142	201.3
[M]-	352.09759858	201.3

Literature stripe

literature stripe

Patent stripe

patents stripe