CID 66779522

1229584-03-5

Structural Information

Molecular Formula
C13H19BrN2O2Si
SMILES
C[Si](C)(C)CCOCN1C(=O)CC2=C1N=CC(=C2)Br
InChI
InChI=1S/C13H19BrN2O2Si/c1-19(2,3)5-4-18-9-16-12(17)7-10-6-11(14)8-15-13(10)16/h6,8H,4-5,7,9H2,1-3H3
InChIKey
CPRJNAUANBWOEN-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

342.03992 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04720 173.0
[M+Na]+ 365.02914 184.8
[M-H]- 341.03264 177.5
[M+NH4]+ 360.07374 191.7
[M+K]+ 381.00308 173.5
[M+H-H2O]+ 325.03718 172.2
[M+HCOO]- 387.03812 189.2
[M+CH3COO]- 401.05377 205.5
[M+Na-2H]- 363.01459 177.6
[M]+ 342.03937 195.0
[M]- 342.04047 195.0
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