CID 45054402

763109-55-3

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

CC(C)CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NN

InChI

InChI=1S/C14H17N3O2/c1-9(2)7-10-3-5-11(6-4-10)13-8-12(17-19-13)14(18)16-15/h3-6,8-9H,7,15H2,1-2H3,(H,16,18)

InChIKey

SJCLBNHCDVYAHY-UHFFFAOYSA-N

Compound name

5-[4-(2-methylpropyl)phenyl]-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.13208 Da
Monoisotopic Mass: 2.5
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]+	260.139356	161.6
[M+Na]+	282.121298	167.9
[M-H]-	258.124804	167.6
[M+NH4]+	277.165903	176.6
[M+K]+	298.095238	166.0
[M+H-H2O]+	242.129340	153.3
[M+HCOO]-	304.130281	184.6
[M+CH3COO]-	318.145931	200.6
[M+Na-2H]-	280.106746	163.8
[M]+	259.13153142	161.7
[M]-	259.13262858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.