CID 3052827

Brn 5389605

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-10-8-13(16-20-10)14(19)18(15)9-11-4-6-12(7-5-11)17(2)3/h4-8H,9,15H2,1-3H3

InChIKey

FIMBACBHWGJZQJ-UHFFFAOYSA-N

Compound name

N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.14297 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]+	275.150246	165.8
[M+Na]+	297.132188	171.7
[M-H]-	273.135694	174.6
[M+NH4]+	292.176793	181.1
[M+K]+	313.106128	172.2
[M+H-H2O]+	257.140230	156.7
[M+HCOO]-	319.141171	191.8
[M+CH3COO]-	333.156821	211.6
[M+Na-2H]-	295.117636	168.2
[M]+	274.14242142	168.3
[M]-	274.14351858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.