PubChemLite - 71598-16-8 (C34H15NO2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C7=C8C5=C(N4)C=C9C8=C(C=C7)C(=O)C1=CC=CC=C19

InChI

InChI=1S/C34H15NO2/c36-33-19-7-3-1-5-15(19)23-13-25-31-29-17(9-11-21(33)27(23)29)18-10-12-22-28-24(14-26(35-25)32(31)30(18)28)16-6-2-4-8-20(16)34(22)37/h1-14,35H

InChIKey

OPPGWOUKZOSIRE-UHFFFAOYSA-N

Compound name

19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione

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]+	470.11758	203.8
[M+Na]+	492.09952	214.1
[M-H]-	468.10302	210.1
[M+NH4]+	487.14412	218.3
[M+K]+	508.07346	205.0
[M+H-H2O]+	452.10756	187.7
[M+HCOO]-	514.10850	214.1
[M+CH3COO]-	528.12415	211.1
[M+Na-2H]-	490.08497	213.0
[M]+	469.10975	213.1
[M]-	469.11085	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.11758

203.8

[M+Na]+

492.09952

214.1

[M-H]-

468.10302

210.1

[M+NH4]+

487.14412

218.3

[M+K]+

508.07346

205.0

[M+H-H2O]+

452.10756

187.7

[M+HCOO]-

514.10850

214.1

[M+CH3COO]-

528.12415

211.1

[M+Na-2H]-

490.08497

213.0

[M]+

469.10975

213.1

[M]-

469.11085

213.1

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

71598-16-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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