CID 3056354

1,1-dimethyl-3-ethyl-1'-pentylspiro(1h-2-benzopyran-4(3h),4'-piperidin)-6-ol hydrobromide

Structural Information

Molecular Formula
C22H35NO2
SMILES
CCCCCN1CCC2(CC1)C(OC(C3=C2C=C(C=C3)O)(C)C)CC
InChI
InChI=1S/C22H35NO2/c1-5-7-8-13-23-14-11-22(12-15-23)19-16-17(24)9-10-18(19)21(3,4)25-20(22)6-2/h9-10,16,20,24H,5-8,11-15H2,1-4H3
InChIKey
WCCBATQOQNFYQV-UHFFFAOYSA-N
Compound name
3-ethyl-1,1-dimethyl-1'-pentylspiro[3H-isochromene-4,4'-piperidine]-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.26678 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.27406 188.0
[M+Na]+ 368.25600 193.4
[M-H]- 344.25950 191.2
[M+NH4]+ 363.30060 203.7
[M+K]+ 384.22994 189.5
[M+H-H2O]+ 328.26404 179.5
[M+HCOO]- 390.26498 198.6
[M+CH3COO]- 404.28063 213.8
[M+Na-2H]- 366.24145 190.0
[M]+ 345.26623 186.4
[M]- 345.26733 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.