CID 54580717

Chembl1743260

Structural Information

Molecular Formula
C25H28N2O4Si
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O
InChI
InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-16(13-27(21)23(28)18(19)14-31-24(25)29)11-17-15(9-10-32(2,3)4)7-6-8-20(17)26-22/h6-8,11-12,30H,5,9-10,13-14H2,1-4H3/t25-/m0/s1
InChIKey
SYXGVIWFCCQOEK-VWLOTQADSA-N
Compound name
(19S)-19-ethyl-19-hydroxy-8-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

448.18182 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18910 209.0
[M+Na]+ 471.17104 223.1
[M+NH4]+ 466.21564 217.2
[M+K]+ 487.14498 215.5
[M-H]- 447.17454 211.8
[M+Na-2H]- 469.15649 210.8
[M]+ 448.18127 212.1
[M]- 448.18237 212.1
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