PubChemLite - 19333-15-4 (C32H18N8O2Si)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Si](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)(O)O

InChI

InChI=1S/C32H18N8O2Si/c41-43(42)39-29-21-13-5-6-14-22(21)31(39)37-27-19-11-3-4-12-20(19)28(34-27)38-32-24-16-8-7-15-23(24)30(40(32)43)36-26-18-10-2-1-9-17(18)25(33-26)35-29/h1-16,41-42H

InChIKey

IKEIGECHKXPQKT-UHFFFAOYSA-N

Compound name

38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

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]+	575.13948	227.4
[M+Na]+	597.12142	246.4
[M+NH4]+	592.16602	235.0
[M+K]+	613.09536	241.6
[M-H]-	573.12492	229.3
[M+Na-2H]-	595.10687	227.5
[M]+	574.13165	231.0
[M]-	574.13275	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.13948

227.4

[M+Na]+

597.12142

246.4

[M+NH4]+

592.16602

235.0

[M+K]+

613.09536

241.6

[M-H]-

573.12492

229.3

[M+Na-2H]-

595.10687

227.5

[M]+

574.13165

231.0

[M]-

574.13275

231.0

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

19333-15-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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