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]+ 338.211476 181.6
[M+Na]+ 360.193418 186.6
[M-H]- 336.196924 191.8
[M+NH4]+ 355.238023 197.9
[M+K]+ 376.167358 186.9
[M+H-H2O]+ 320.201460 175.3
[M+HCOO]- 382.202401 198.7
[M+CH3COO]- 396.218051 191.9
[M+Na-2H]- 358.178866 185.9
[M]+ 337.20365142 180.4
[M]- 337.20474858 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.