PubChemLite - Basic blue 7 (C33H39N3)

Structural Information

Molecular Formula

SMILES

CCN=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14

InChI

InChI=1S/C33H39N3/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-24H,6-10H2,1-5H3

InChIKey

ALMMLSQBERCMRB-UHFFFAOYSA-N

Compound name

4-[[4-(diethylamino)phenyl]-(4-ethyliminonaphthalen-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]+	478.32168	226.5
[M+Na]+	500.30362	228.0
[M-H]-	476.30712	238.5
[M+NH4]+	495.34822	235.3
[M+K]+	516.27756	222.1
[M+H-H2O]+	460.31166	213.4
[M+HCOO]-	522.31260	248.1
[M+CH3COO]-	536.32825	258.3
[M+Na-2H]-	498.28907	224.8
[M]+	477.31385	227.7
[M]-	477.31495	227.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.32168

226.5

[M+Na]+

500.30362

228.0

[M-H]-

476.30712

238.5

[M+NH4]+

495.34822

235.3

[M+K]+

516.27756

222.1

[M+H-H2O]+

460.31166

213.4

[M+HCOO]-

522.31260

248.1

[M+CH3COO]-

536.32825

258.3

[M+Na-2H]-

498.28907

224.8

[M]+

477.31385

227.7

[M]-

477.31495

227.7

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

Basic blue 7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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