PubChemLite - 6358-30-1 (C34H22Cl2N4O2)

Structural Information

Molecular Formula

SMILES

CCN1C2=CC=CC=C2C3=CC4=C(C=C31)OC5=C(C6=NC7=C(C=C8C(=C7)C9=CC=CC=C9N8CC)OC6=C(C5=N4)Cl)Cl

InChI

InChI=1S/C34H22Cl2N4O2/c1-3-39-23-11-7-5-9-17(23)19-13-21-27(15-25(19)39)41-33-29(35)32-34(30(36)31(33)37-21)42-28-16-26-20(14-22(28)38-32)18-10-6-8-12-24(18)40(26)4-2/h5-16H,3-4H2,1-2H3

InChIKey

CGLVZFOCZLHKOH-UHFFFAOYSA-N

Compound name

2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene

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]+	589.11928	249.1
[M+Na]+	611.10122	274.6
[M+NH4]+	606.14582	259.5
[M+K]+	627.07516	263.0
[M-H]-	587.10472	258.8
[M+Na-2H]-	609.08667	251.6
[M]+	588.11145	257.1
[M]-	588.11255	257.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

589.11928

249.1

[M+Na]+

611.10122

274.6

[M+NH4]+

606.14582

259.5

[M+K]+

627.07516

263.0

[M-H]-

587.10472

258.8

[M+Na-2H]-

609.08667

251.6

[M]+

588.11145

257.1

[M]-

588.11255

257.1

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

6358-30-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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