CID 22222453

299916-85-1

Structural Information

Molecular Formula
C19H24BrN3O2Si
SMILES
C[Si](C)(C)CCOCN1C=C(C2=C1C(=NC=N2)OCC3=CC=CC=C3)Br
InChI
InChI=1S/C19H24BrN3O2Si/c1-26(2,3)10-9-24-14-23-11-16(20)17-18(23)19(22-13-21-17)25-12-15-7-5-4-6-8-15/h4-8,11,13H,9-10,12,14H2,1-3H3
InChIKey
IYDAWISQSXSDGC-UHFFFAOYSA-N
Compound name
2-[(7-bromo-4-phenylmethoxypyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

433.08212 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.08940 196.4
[M+Na]+ 456.07134 207.8
[M-H]- 432.07484 202.7
[M+NH4]+ 451.11594 209.8
[M+K]+ 472.04528 195.5
[M+H-H2O]+ 416.07938 193.3
[M+HCOO]- 478.08032 213.0
[M+CH3COO]- 492.09597 220.8
[M+Na-2H]- 454.05679 201.6
[M]+ 433.08157 221.3
[M]- 433.08267 221.3
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