CID 174082

2-(dibenzylamino)acetic acid

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

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

InChI

InChI=1S/C16H17NO2/c18-16(19)13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)

InChIKey

QDWVRVNMKUFQJL-UHFFFAOYSA-N

Compound name

2-(dibenzylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 156
Patents: 255.12593 Da
Monoisotopic Mass: 0.6
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]+	256.13321	160.1
[M+Na]+	278.11515	172.8
[M+NH4]+	273.15975	168.3
[M+K]+	294.08909	165.5
[M-H]-	254.11865	164.8
[M+Na-2H]-	276.10060	169.3
[M]+	255.12538	163.2
[M]-	255.12648	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe