PubChemLite - 59261-10-8 (C36H40N2O2)

Structural Information

Molecular Formula

SMILES

CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCC3=CC=C(C=C3)N=CC4=CC=C(C=C4)OCCCC

InChI

InChI=1S/C36H40N2O2/c1-3-5-25-39-35-21-13-31(14-22-35)27-37-33-17-9-29(10-18-33)7-8-30-11-19-34(20-12-30)38-28-32-15-23-36(24-16-32)40-26-6-4-2/h9-24,27-28H,3-8,25-26H2,1-2H3

InChIKey

MTNKRTXSIXNCAP-UHFFFAOYSA-N

Compound name

1-(4-butoxyphenyl)-N-[4-[2-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

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]+	533.31624	243.6
[M+Na]+	555.29818	259.8
[M+NH4]+	550.34278	250.6
[M+K]+	571.27212	245.5
[M-H]-	531.30168	254.6
[M+Na-2H]-	553.28363	255.6
[M]+	532.30841	249.3
[M]-	532.30951	249.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.31624

243.6

[M+Na]+

555.29818

259.8

[M+NH4]+

550.34278

250.6

[M+K]+

571.27212

245.5

[M-H]-

531.30168

254.6

[M+Na-2H]-

553.28363

255.6

[M]+

532.30841

249.3

[M]-

532.30951

249.3

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

59261-10-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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