CID 91799726

Cvt-3248

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂

SMILES

CC1=C(C(=CC=C1)CO)NC(=O)CN2CCNCC2

InChI

InChI=1S/C14H21N3O2/c1-11-3-2-4-12(10-18)14(11)16-13(19)9-17-7-5-15-6-8-17/h2-4,15,18H,5-10H2,1H3,(H,16,19)

InChIKey

HFQNBAUUNYKQRF-UHFFFAOYSA-N

Compound name

N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 263.1634 Da
Monoisotopic Mass: 0.5
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]+	264.170676	163.4
[M+Na]+	286.152618	167.0
[M-H]-	262.156124	163.7
[M+NH4]+	281.197223	175.3
[M+K]+	302.126558	162.6
[M+H-H2O]+	246.160660	154.6
[M+HCOO]-	308.161601	178.4
[M+CH3COO]-	322.177251	194.3
[M+Na-2H]-	284.138066	165.5
[M]+	263.16285142	157.0
[M]-	263.16394858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.