CID 115701

64036-68-6

Structural Information

Molecular Formula
C22H25NO3
SMILES
C1CC2=CC=CC=C2C3(C4=CC=CC=C41)OCC(O3)CN5CCOCC5
InChI
InChI=1S/C22H25NO3/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)25-16-19(26-22)15-23-11-13-24-14-12-23/h1-8,19H,9-16H2
InChIKey
REUYGAZJCBBSNA-UHFFFAOYSA-N
Compound name
4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 191.9
[M+Na]+ 374.17266 203.4
[M+NH4]+ 369.21726 201.5
[M+K]+ 390.14660 196.6
[M-H]- 350.17616 200.6
[M+Na-2H]- 372.15811 196.4
[M]+ 351.18289 196.4
[M]- 351.18399 196.4
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.