PubChemLite - N'-[(2-phenylphenyl)methyl]-n-[3-[(2-phenylphenyl)methylamino]propyl]heptane-1,7-diamine (C36H45N3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2CNCCCCCCCNCCCNCC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C36H45N3/c1(3-15-26-38-29-33-21-10-12-23-35(33)31-17-6-4-7-18-31)2-14-25-37-27-16-28-39-30-34-22-11-13-24-36(34)32-19-8-5-9-20-32/h4-13,17-24,37-39H,1-3,14-16,25-30H2

InChIKey

LZCPELHAGUEBTR-UHFFFAOYSA-N

Compound name

N'-[(2-phenylphenyl)methyl]-N-[3-[(2-phenylphenyl)methylamino]propyl]heptane-1,7-diamine

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]+	520.36858	230.7
[M+Na]+	542.35052	229.0
[M-H]-	518.35402	239.6
[M+NH4]+	537.39512	234.1
[M+K]+	558.32446	219.3
[M+H-H2O]+	502.35856	216.6
[M+HCOO]-	564.35950	252.5
[M+CH3COO]-	578.37515	255.3
[M+Na-2H]-	540.33597	232.3
[M]+	519.36075	230.0
[M]-	519.36185	230.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.36858

230.7

[M+Na]+

542.35052

229.0

[M-H]-

518.35402

239.6

[M+NH4]+

537.39512

234.1

[M+K]+

558.32446

219.3

[M+H-H2O]+

502.35856

216.6

[M+HCOO]-

564.35950

252.5

[M+CH3COO]-

578.37515

255.3

[M+Na-2H]-

540.33597

232.3

[M]+

519.36075

230.0

[M]-

519.36185

230.0

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

N'-[(2-phenylphenyl)methyl]-n-[3-[(2-phenylphenyl)methylamino]propyl]heptane-1,7-diamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe