CID 118731

34753-48-5

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)CC1COC2(O1)C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C22H27NO2/c1-3-23(4-2)15-19-16-24-22(25-19)20-11-7-5-9-17(20)13-14-18-10-6-8-12-21(18)22/h5-12,19H,3-4,13-16H2,1-2H3
InChIKey
JAFPWPRREPNQAK-UHFFFAOYSA-N
Compound name
N-ethyl-N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 181.6
[M+Na]+ 360.19342 186.6
[M-H]- 336.19692 191.8
[M+NH4]+ 355.23802 197.9
[M+K]+ 376.16736 186.9
[M+H-H2O]+ 320.20146 175.3
[M+HCOO]- 382.20240 198.7
[M+CH3COO]- 396.21805 191.9
[M+Na-2H]- 358.17887 185.9
[M]+ 337.20365 180.4
[M]- 337.20475 180.4
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.