CID 115813

64058-50-0

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CCN(C1)CC2COC3(O2)C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C22H25NO2/c1-3-9-20-17(7-1)11-12-18-8-2-4-10-21(18)22(20)24-16-19(25-22)15-23-13-5-6-14-23/h1-4,7-10,19H,5-6,11-16H2
InChIKey
BNBGGZLSNSEROF-UHFFFAOYSA-N
Compound name
1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 180.5
[M+Na]+ 358.17776 185.7
[M-H]- 334.18126 191.0
[M+NH4]+ 353.22236 196.4
[M+K]+ 374.15170 183.4
[M+H-H2O]+ 318.18580 173.4
[M+HCOO]- 380.18674 194.3
[M+CH3COO]- 394.20239 190.1
[M+Na-2H]- 356.16321 181.3
[M]+ 335.18799 175.0
[M]- 335.18909 175.0
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.