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]+ 338.211476 181.6
[M+Na]+ 360.193418 186.1
[M-H]- 336.196924 190.5
[M+NH4]+ 355.238023 197.3
[M+K]+ 376.167358 185.8
[M+H-H2O]+ 320.201460 175.6
[M+HCOO]- 382.202401 197.3
[M+CH3COO]- 396.218051 191.3
[M+Na-2H]- 358.178866 185.6
[M]+ 337.20365142 178.8
[M]- 337.20474858 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.