PubChemLite - 140447-68-3 (C32H40ClN3O7Si)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C3CC(CN(C3=CC(=C2N1)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)CO)Cl)C(=O)OC

InChI

InChI=1S/C32H40ClN3O7Si/c1-16-24(31(39)42-7)25-20-12-19(33)14-36(22(20)13-23(27(25)34-16)43-44(8,9)32(2,3)4)30(38)21-11-17-10-18(15-37)28(40-5)29(41-6)26(17)35-21/h10-11,13,19,34-35,37H,12,14-15H2,1-9H3

InChIKey

BCGLXMOUEHQOHF-UHFFFAOYSA-N

Compound name

methyl 4-[tert-butyl(dimethyl)silyl]oxy-8-chloro-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-1-carboxylate

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]+	642.23968	257.6
[M+Na]+	664.22162	264.5
[M-H]-	640.22512	261.1
[M+NH4]+	659.26622	261.5
[M+K]+	680.19556	260.4
[M+H-H2O]+	624.22966	251.1
[M+HCOO]-	686.23060	258.4
[M+CH3COO]-	700.24625	262.2
[M+Na-2H]-	662.20707	252.7
[M]+	641.23185	269.0
[M]-	641.23295	269.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

642.23968

257.6

[M+Na]+

664.22162

264.5

[M-H]-

640.22512

261.1

[M+NH4]+

659.26622

261.5

[M+K]+

680.19556

260.4

[M+H-H2O]+

624.22966

251.1

[M+HCOO]-

686.23060

258.4

[M+CH3COO]-

700.24625

262.2

[M+Na-2H]-

662.20707

252.7

[M]+

641.23185

269.0

[M]-

641.23295

269.0

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

140447-68-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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