CID 70378439

Secodemethylclausenamide

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

C1=CC=C(C=C1)CCNC(=O)C(C(C2=CC=CC=C2)O)O

InChI

InChI=1S/C17H19NO3/c19-15(14-9-5-2-6-10-14)16(20)17(21)18-12-11-13-7-3-1-4-8-13/h1-10,15-16,19-20H,11-12H2,(H,18,21)

InChIKey

BXCFCVVLKIBDIH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 285.1365 Da
Monoisotopic Mass: 1.7
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]+	286.143776	167.4
[M+Na]+	308.125718	170.1
[M-H]-	284.129224	170.5
[M+NH4]+	303.170323	180.4
[M+K]+	324.099658	166.5
[M+H-H2O]+	268.133760	159.4
[M+HCOO]-	330.134701	186.6
[M+CH3COO]-	344.150351	198.3
[M+Na-2H]-	306.111166	169.6
[M]+	285.13595142	164.6
[M]-	285.13704858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe