CID 115695

64036-63-1

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCC(C)NCC1COC2(O1)C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C22H27NO2/c1-3-16(2)23-14-19-15-24-22(25-19)20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22/h4-11,16,19,23H,3,12-15H2,1-2H3
InChIKey
AKMWJQGSTBADPD-UHFFFAOYSA-N
Compound name
N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 181.6
[M+Na]+ 360.19342 186.1
[M-H]- 336.19692 190.5
[M+NH4]+ 355.23802 197.3
[M+K]+ 376.16736 185.8
[M+H-H2O]+ 320.20146 175.6
[M+HCOO]- 382.20240 197.3
[M+CH3COO]- 396.21805 191.3
[M+Na-2H]- 358.17887 185.6
[M]+ 337.20365 178.8
[M]- 337.20475 178.8
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.