CID 57129

96732-05-7

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CC1=CC(=NO1)C(=O)NNCCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2/c1-10-9-12(16-18-10)13(17)15-14-8-7-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H,15,17)

InChIKey

ZJOZKPIIQKASTL-UHFFFAOYSA-N

Compound name

5-methyl-N'-(2-phenylethyl)-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 245.11642 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]+	246.123696	155.3
[M+Na]+	268.105638	161.4
[M-H]-	244.109144	161.4
[M+NH4]+	263.150243	170.8
[M+K]+	284.079578	159.5
[M+H-H2O]+	228.113680	146.8
[M+HCOO]-	290.114621	180.2
[M+CH3COO]-	304.130271	196.0
[M+Na-2H]-	266.091086	161.1
[M]+	245.11587142	156.3
[M]-	245.11696858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.