PubChemLite - 337521-39-8 (C35H27N3O2)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H27N3O2/c1-36-34(40)28-20-18-25-21-27(19-17-26(25)22-28)33(39)32-23-38(24-37-32)35(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3,(H,36,40)

InChIKey

BXIZVEYIKFJEEF-UHFFFAOYSA-N

Compound name

N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide

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]+	522.21758	228.1
[M+Na]+	544.19952	232.1
[M-H]-	520.20302	241.0
[M+NH4]+	539.24412	231.0
[M+K]+	560.17346	223.7
[M+H-H2O]+	504.20756	214.0
[M+HCOO]-	566.20850	244.9
[M+CH3COO]-	580.22415	234.0
[M+Na-2H]-	542.18497	230.2
[M]+	521.20975	227.1
[M]-	521.21085	227.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.21758

228.1

[M+Na]+

544.19952

232.1

[M-H]-

520.20302

241.0

[M+NH4]+

539.24412

231.0

[M+K]+

560.17346

223.7

[M+H-H2O]+

504.20756

214.0

[M+HCOO]-

566.20850

244.9

[M+CH3COO]-

580.22415

234.0

[M+Na-2H]-

542.18497

230.2

[M]+

521.20975

227.1

[M]-

521.21085

227.1

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

337521-39-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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