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 185.5
[M+Na]+ 358.17776 196.2
[M+NH4]+ 353.22236 195.6
[M+K]+ 374.15170 191.0
[M-H]- 334.18126 192.8
[M+Na-2H]- 356.16321 190.4
[M]+ 335.18799 189.4
[M]- 335.18909 189.4
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.