CID 5271224

105639-05-2

Structural Information

Molecular Formula

C₁₈H₂₃N₃O₃

SMILES

CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)N

InChI

InChI=1S/C18H23N3O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10,19H2,1H3

InChIKey

DKPVEGXTJAHDFD-UHFFFAOYSA-N

Compound name

5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 329.17395 Da
Monoisotopic Mass: 2.7
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]+	330.18123	178.0
[M+Na]+	352.16317	184.6
[M-H]-	328.16667	186.1
[M+NH4]+	347.20777	189.4
[M+K]+	368.13711	182.7
[M+H-H2O]+	312.17121	169.0
[M+HCOO]-	374.17215	199.0
[M+CH3COO]-	388.18780	209.6
[M+Na-2H]-	350.14862	178.4
[M]+	329.17340	182.0
[M]-	329.17450	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe