CID 177583

Tembamide

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)

InChIKey

NICURWGAEFHESQ-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 22
Patents: 271.12085 Da
Monoisotopic Mass: 2.0
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]+	272.12813	162.4
[M+Na]+	294.11007	167.3
[M-H]-	270.11357	167.5
[M+NH4]+	289.15467	177.2
[M+K]+	310.08401	164.2
[M+H-H2O]+	254.11811	154.5
[M+HCOO]-	316.11905	184.5
[M+CH3COO]-	330.13470	198.0
[M+Na-2H]-	292.09552	166.2
[M]+	271.12030	162.2
[M]-	271.12140	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe