CID 5063220

Schembl8909101

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1=CC(=NO1)NC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C11H10N2O3/c1-7-6-10(13-16-7)12-11(15)8-4-2-3-5-9(8)14/h2-6,14H,1H3,(H,12,13,15)

InChIKey

DPTFDFCGVMNTCV-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 218.06914 Da
Monoisotopic Mass: 2.1
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]+	219.07642	145.5
[M+Na]+	241.05836	153.9
[M-H]-	217.06186	151.1
[M+NH4]+	236.10296	162.2
[M+K]+	257.03230	152.3
[M+H-H2O]+	201.06640	138.4
[M+HCOO]-	263.06734	168.9
[M+CH3COO]-	277.08299	185.8
[M+Na-2H]-	239.04381	150.8
[M]+	218.06859	146.6
[M]-	218.06969	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe