CID 10424832

Secoclausenamide

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

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

InChI

InChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3

InChIKey

NCIQCBQQKSZYHT-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 299.15213 Da
Monoisotopic Mass: 1.9
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]+	300.159406	172.1
[M+Na]+	322.141348	174.5
[M-H]-	298.144854	176.4
[M+NH4]+	317.185953	185.1
[M+K]+	338.115288	172.1
[M+H-H2O]+	282.149390	163.8
[M+HCOO]-	344.150331	191.4
[M+CH3COO]-	358.165981	204.6
[M+Na-2H]-	320.126796	173.0
[M]+	299.15158142	170.9
[M]-	299.15267858	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe