PubChemLite - 2,5-bis[4-[(4-methylbenzimidoyl)amino]phenyl]furan (C32H28N4O)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)N=C(C5=CC=C(C=C5)C)N)N

InChI

InChI=1S/C32H28N4O/c1-21-3-7-25(8-4-21)31(33)35-27-15-11-23(12-16-27)29-19-20-30(37-29)24-13-17-28(18-14-24)36-32(34)26-9-5-22(2)6-10-26/h3-20H,1-2H3,(H2,33,35)(H2,34,36)

InChIKey

HTNJHJSJPZYADA-UHFFFAOYSA-N

Compound name

N'-[4-[5-[4-[[amino-(4-methylphenyl)methylidene]amino]phenyl]furan-2-yl]phenyl]-4-methylbenzenecarboximidamide

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]+	485.23360	224.5
[M+Na]+	507.21554	228.7
[M-H]-	483.21904	242.1
[M+NH4]+	502.26014	230.7
[M+K]+	523.18948	222.8
[M+H-H2O]+	467.22358	211.9
[M+HCOO]-	529.22452	249.9
[M+CH3COO]-	543.24017	232.5
[M+Na-2H]-	505.20099	222.9
[M]+	484.22577	222.9
[M]-	484.22687	222.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.23360

224.5

[M+Na]+

507.21554

228.7

[M-H]-

483.21904

242.1

[M+NH4]+

502.26014

230.7

[M+K]+

523.18948

222.8

[M+H-H2O]+

467.22358

211.9

[M+HCOO]-

529.22452

249.9

[M+CH3COO]-

543.24017

232.5

[M+Na-2H]-

505.20099

222.9

[M]+

484.22577

222.9

[M]-

484.22687

222.9

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

2,5-bis[4-[(4-methylbenzimidoyl)amino]phenyl]furan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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