CID 165366400

60895-73-0

Structural Information

Molecular Formula

C₂₄H₃₃NO₃

SMILES

CC1C(OC2(N1C)CC3C2CC4C3C4C5OCC(CO5)(C)C)C6=CC=CC=C6

InChI

InChI=1S/C24H33NO3/c1-14-21(15-8-6-5-7-9-15)28-24(25(14)4)11-17-18(24)10-16-19(17)20(16)22-26-12-23(2,3)13-27-22/h5-9,14,16-22H,10-13H2,1-4H3

InChIKey

HASSKLBGSFYHRU-UHFFFAOYSA-N

Compound name

3'-(5,5-dimethyl-1,3-dioxan-2-yl)-3,4-dimethyl-5-phenylspiro[1,3-oxazolidine-2,7'-tricyclo[4.2.0.02,4]octane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 383.24603 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]+	384.253306	180.6
[M+Na]+	406.235248	188.3
[M-H]-	382.238754	194.0
[M+NH4]+	401.279853	186.7
[M+K]+	422.209188	190.2
[M+H-H2O]+	366.243290	172.1
[M+HCOO]-	428.244231	189.1
[M+CH3COO]-	442.259881	190.5
[M+Na-2H]-	404.220696	179.2
[M]+	383.24548142	191.9
[M]-	383.24657858	191.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.