CID 5273094

N,n-dimethyl-2-[5-(3-methylisoxazol-5-yl)pentoxy]-5-oxazol-5-yl-aniline

Structural Information

Molecular Formula

C₂₀H₂₅N₃O₃

SMILES

CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=CN=CO3)N(C)C

InChI

InChI=1S/C20H25N3O3/c1-15-11-17(26-22-15)7-5-4-6-10-24-19-9-8-16(12-18(19)23(2)3)20-13-21-14-25-20/h8-9,11-14H,4-7,10H2,1-3H3

InChIKey

XFYRHZPDYIMPNU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]-5-(1,3-oxazol-5-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.1896 Da
Monoisotopic Mass: 4.0
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]+	356.196876	186.1
[M+Na]+	378.178818	194.0
[M-H]-	354.182324	196.6
[M+NH4]+	373.223423	197.5
[M+K]+	394.152758	193.0
[M+H-H2O]+	338.186860	176.6
[M+HCOO]-	400.187801	210.3
[M+CH3COO]-	414.203451	218.7
[M+Na-2H]-	376.164266	187.4
[M]+	355.18905142	195.7
[M]-	355.19014858	195.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.