CID 131751228

Z-clausenamide

Structural Information

Molecular Formula

C₁₈H₁₇NO₂

SMILES

CN1/C=C\C2=CC=CC=C2C(C(C1=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-

InChIKey

VRSSZILNAITUII-QXMHVHEDSA-N

Compound name

(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 279.12592 Da
Monoisotopic Mass: 2.6
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]+	280.133196	161.8
[M+Na]+	302.115138	167.2
[M-H]-	278.118644	164.3
[M+NH4]+	297.159743	168.7
[M+K]+	318.089078	165.7
[M+H-H2O]+	262.123180	157.0
[M+HCOO]-	324.124121	170.0
[M+CH3COO]-	338.139771	166.2
[M+Na-2H]-	300.100586	161.6
[M]+	279.12537142	161.1
[M]-	279.12646858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe