CID 24229231

5-bromo-3-iodo-1-triisopropylsilanyl-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C16H24BrIN2Si
SMILES
CC(C)[Si](C(C)C)(C(C)C)N1C=C(C2=C1N=CC(=C2)Br)I
InChI
InChI=1S/C16H24BrIN2Si/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h7-12H,1-6H3
InChIKey
HLOOLAJLGYWXQW-UHFFFAOYSA-N
Compound name
(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

477.99368 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.00096 185.9
[M+Na]+ 500.98290 190.4
[M-H]- 476.98640 184.1
[M+NH4]+ 496.02750 199.0
[M+K]+ 516.95684 184.6
[M+H-H2O]+ 460.99094 181.4
[M+HCOO]- 522.99188 195.8
[M+CH3COO]- 537.00753 221.4
[M+Na-2H]- 498.96835 176.4
[M]+ 477.99313 204.1
[M]- 477.99423 204.1
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