PubChemLite - Chembl1743260 (C25H28N2O4Si)

Structural Information

Molecular Formula

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

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]+	449.18910	211.4
[M+Na]+	471.17104	221.2
[M-H]-	447.17454	215.2
[M+NH4]+	466.21564	224.4
[M+K]+	487.14498	215.6
[M+H-H2O]+	431.17908	202.0
[M+HCOO]-	493.18002	220.3
[M+CH3COO]-	507.19567	219.5
[M+Na-2H]-	469.15649	214.4
[M]+	448.18127	216.1
[M]-	448.18237	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.18910

211.4

[M+Na]+

471.17104

221.2

[M-H]-

447.17454

215.2

[M+NH4]+

466.21564

224.4

[M+K]+

487.14498

215.6

[M+H-H2O]+

431.17908

202.0

[M+HCOO]-

493.18002

220.3

[M+CH3COO]-

507.19567

219.5

[M+Na-2H]-

469.15649

214.4

[M]+

448.18127

216.1

[M]-

448.18237

216.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chembl1743260

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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