PubChemLite - Methylsilicon(iv) phthalocyanine hydroxide (C33H20N8OSi)

Structural Information

Molecular Formula

SMILES

C[Si]1(N2C3=C4C=CC=CC4=C2N=C5C6=CC=CC=C6C(=N5)N=C7N1C(=NC8=NC(=N3)C9=CC=CC=C98)C1=CC=CC=C17)O

InChI

InChI=1S/C33H20N8OSi/c1-43(42)40-30-22-14-6-7-15-23(22)32(40)38-28-20-12-4-5-13-21(20)29(35-28)39-33-25-17-9-8-16-24(25)31(41(33)43)37-27-19-11-3-2-10-18(19)26(34-27)36-30/h2-17,42H,1H3

InChIKey

RFJMHYRHTVTYGU-UHFFFAOYSA-N

Compound name

38-hydroxy-38-methyl-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]+	573.16023	228.2
[M+Na]+	595.14217	247.8
[M+NH4]+	590.18677	236.4
[M+K]+	611.11611	242.2
[M-H]-	571.14567	230.7
[M+Na-2H]-	593.12762	228.8
[M]+	572.15240	232.2
[M]-	572.15350	232.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.16023

228.2

[M+Na]+

595.14217

247.8

[M+NH4]+

590.18677

236.4

[M+K]+

611.11611

242.2

[M-H]-

571.14567

230.7

[M+Na-2H]-

593.12762

228.8

[M]+

572.15240

232.2

[M]-

572.15350

232.2

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

Methylsilicon(iv) phthalocyanine hydroxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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