PubChemLite - 140447-66-1 (C30H38BrN3O5Si)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C3CC(CN(C3=CC(=C2N1)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)CO)Br

InChI

InChI=1S/C30H38BrN3O5Si/c1-16-9-21-20-12-19(31)14-34(23(20)13-24(26(21)32-16)39-40(7,8)30(2,3)4)29(36)22-11-17-10-18(15-35)27(37-5)28(38-6)25(17)33-22/h9-11,13,19,32-33,35H,12,14-15H2,1-8H3

InChIKey

VWVGKUAOXRULEZ-UHFFFAOYSA-N

Compound name

[8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,7,8,9-tetrahydropyrrolo[3,2-f]quinolin-6-yl]-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indol-2-yl]methanone

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]+	628.18368	252.8
[M+Na]+	650.16562	261.6
[M-H]-	626.16912	258.2
[M+NH4]+	645.21022	260.4
[M+K]+	666.13956	250.3
[M+H-H2O]+	610.17366	251.7
[M+HCOO]-	672.17460	257.5
[M+CH3COO]-	686.19025	253.1
[M+Na-2H]-	648.15107	249.8
[M]+	627.17585	276.5
[M]-	627.17695	276.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

628.18368

252.8

[M+Na]+

650.16562

261.6

[M-H]-

626.16912

258.2

[M+NH4]+

645.21022

260.4

[M+K]+

666.13956

250.3

[M+H-H2O]+

610.17366

251.7

[M+HCOO]-

672.17460

257.5

[M+CH3COO]-

686.19025

253.1

[M+Na-2H]-

648.15107

249.8

[M]+

627.17585

276.5

[M]-

627.17695

276.5

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

140447-66-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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