CID 2732889

Ccg-252105

Structural Information

Molecular Formula

C₂₃H₂₇NO₃

SMILES

CC1(COC(=N1)C2=CC=CC=C2COC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C23H27NO3/c1-22(2,3)18-12-10-16(11-13-18)21(25)26-14-17-8-6-7-9-19(17)20-24-23(4,5)15-27-20/h6-13H,14-15H2,1-5H3

InChIKey

DUJQMVHISMNNPF-UHFFFAOYSA-N

Compound name

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methyl 4-tert-butylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 365.1991 Da
Monoisotopic Mass: 5.1
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]+	366.206376	189.4
[M+Na]+	388.188318	196.5
[M-H]-	364.191824	198.8
[M+NH4]+	383.232923	203.0
[M+K]+	404.162258	193.8
[M+H-H2O]+	348.196360	181.1
[M+HCOO]-	410.197301	207.5
[M+CH3COO]-	424.212951	215.9
[M+Na-2H]-	386.173766	191.1
[M]+	365.19855142	193.3
[M]-	365.19964858	193.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.