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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 180.6
[M+Na]+ 406.23525 188.3
[M-H]- 382.23875 194.0
[M+NH4]+ 401.27985 186.7
[M+K]+ 422.20919 190.2
[M+H-H2O]+ 366.24329 172.1
[M+HCOO]- 428.24423 189.1
[M+CH3COO]- 442.25988 190.5
[M+Na-2H]- 404.22070 179.2
[M]+ 383.24548 191.9
[M]- 383.24658 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.