CID 1894361

Amn-082

Structural Information

Molecular Formula

C₂₈H₂₈N₂

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2

InChIKey

DTZDSNQYNPNCPK-UHFFFAOYSA-N

Compound name

N,N'-dibenzhydrylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 103
References: 202
Patents: 392.22525 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

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]+	393.23253	196.1
[M+Na]+	415.21447	196.5
[M-H]-	391.21797	206.2
[M+NH4]+	410.25907	204.4
[M+K]+	431.18841	189.1
[M+H-H2O]+	375.22251	184.2
[M+HCOO]-	437.22345	217.7
[M+CH3COO]-	451.23910	203.3
[M+Na-2H]-	413.19992	200.3
[M]+	392.22470	191.6
[M]-	392.22580	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe