CID 116139

Brn 3330909

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

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

InChI

InChI=1S/C15H15NO3/c17-10-9-16-15(19)13-8-4-7-12(14(13)18)11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,16,19)

InChIKey

BJLUMCCGHWLDON-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(2-hydroxyethyl)-3-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.1052 Da
Monoisotopic Mass: 2.3
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]+	258.112476	157.7
[M+Na]+	280.094418	163.8
[M-H]-	256.097924	161.8
[M+NH4]+	275.139023	172.7
[M+K]+	296.068358	159.6
[M+H-H2O]+	240.102460	150.3
[M+HCOO]-	302.103401	179.6
[M+CH3COO]-	316.119051	192.9
[M+Na-2H]-	278.079866	162.0
[M]+	257.10465142	156.3
[M]-	257.10574858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe