PubChemLite - 73309-46-3 (C39H43N3O)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=NC3=CC=C(C=C3)OCC)C4=CC=CC=C24)C5=CC=C(C=C5)N(CC)CC

InChI

InChI=1S/C39H43N3O/c1-6-41(7-2)32-21-15-29(16-22-32)39(30-17-23-33(24-18-30)42(8-3)9-4)37-27-28-38(36-14-12-11-13-35(36)37)40-31-19-25-34(26-20-31)43-10-5/h11-28H,6-10H2,1-5H3

InChIKey

ZHXJJCLIFNDCKH-UHFFFAOYSA-N

Compound name

4-[[4-(diethylamino)phenyl]-[4-(4-ethoxyphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-diethylaniline

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]+	570.34792	250.2
[M+Na]+	592.32986	250.5
[M-H]-	568.33336	264.3
[M+NH4]+	587.37446	254.3
[M+K]+	608.30380	244.2
[M+H-H2O]+	552.33790	234.7
[M+HCOO]-	614.33884	270.5
[M+CH3COO]-	628.35449	274.0
[M+Na-2H]-	590.31531	247.1
[M]+	569.34009	251.8
[M]-	569.34119	251.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.34792

250.2

[M+Na]+

592.32986

250.5

[M-H]-

568.33336

264.3

[M+NH4]+

587.37446

254.3

[M+K]+

608.30380

244.2

[M+H-H2O]+

552.33790

234.7

[M+HCOO]-

614.33884

270.5

[M+CH3COO]-

628.35449

274.0

[M+Na-2H]-

590.31531

247.1

[M]+

569.34009

251.8

[M]-

569.34119

251.8

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

73309-46-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe