CID 4567

Nylidrin

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O

InChI

InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3

InChIKey

PTGXAUBQBSGPKF-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 194
References: 4012
Patents: 299.18854 Da
Monoisotopic Mass: 3.5
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]+	300.19582	174.3
[M+Na]+	322.17776	176.8
[M-H]-	298.18126	177.3
[M+NH4]+	317.22236	187.1
[M+K]+	338.15170	172.7
[M+H-H2O]+	282.18580	166.3
[M+HCOO]-	344.18674	192.3
[M+CH3COO]-	358.20239	204.8
[M+Na-2H]-	320.16321	174.6
[M]+	299.18799	172.0
[M]-	299.18909	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe