CID 56416

Brn 0683147

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃

SMILES

CC1=NOC(=C1CCOC)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H17N3O3/c1-9-12(7-8-19-2)14(20-17-9)16-13(18)10-3-5-11(15)6-4-10/h3-6H,7-8,15H2,1-2H3,(H,16,18)

InChIKey

UDVNSZOBOZPUTL-UHFFFAOYSA-N

Compound name

4-amino-N-[4-(2-methoxyethyl)-3-methyl-1,2-oxazol-5-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.12698 Da
Monoisotopic Mass: 1.4
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]+	276.134256	163.8
[M+Na]+	298.116198	171.2
[M-H]-	274.119704	170.1
[M+NH4]+	293.160803	178.4
[M+K]+	314.090138	169.4
[M+H-H2O]+	258.124240	155.5
[M+HCOO]-	320.125181	188.0
[M+CH3COO]-	334.140831	203.1
[M+Na-2H]-	296.101646	166.6
[M]+	275.12643142	166.4
[M]-	275.12752858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.