CID 4437007

3-(dibenzylamino)-1-propanol

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

C1=CC=C(C=C1)CN(CCCO)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO/c19-13-7-12-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2

InChIKey

LKOXRTJFYFGTKJ-UHFFFAOYSA-N

Compound name

3-(dibenzylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 328
Patents: 255.16231 Da
Monoisotopic Mass: 2.9
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]+	256.16959	162.6
[M+Na]+	278.15153	175.9
[M+NH4]+	273.19613	171.6
[M+K]+	294.12547	167.0
[M-H]-	254.15503	168.2
[M+Na-2H]-	276.13698	172.4
[M]+	255.16176	166.1
[M]-	255.16286	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe