CID 3052826

69352-52-9

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

CC1=CC(=NO1)C(=O)N(CC2=CC=CC=C2)N

InChI

InChI=1S/C12H13N3O2/c1-9-7-11(14-17-9)12(16)15(13)8-10-5-3-2-4-6-10/h2-7H,8,13H2,1H3

InChIKey

AWFHCMIESWXMBA-UHFFFAOYSA-N

Compound name

N-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.10077 Da
Monoisotopic Mass: 1.3
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]+	232.10805	151.7
[M+Na]+	254.08999	158.4
[M-H]-	230.09349	159.0
[M+NH4]+	249.13459	168.2
[M+K]+	270.06393	157.9
[M+H-H2O]+	214.09803	143.3
[M+HCOO]-	276.09897	176.9
[M+CH3COO]-	290.11462	195.8
[M+Na-2H]-	252.07544	156.2
[M]+	231.10022	152.6
[M]-	231.10132	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe