CID 50318

Brn 0438091

Structural Information

Molecular Formula
C20H24N2O
SMILES
CNC1CN(C1)C2C3=CC=CC=C3CCC4=C2C=C(C=C4)OC
InChI
InChI=1S/C20H24N2O/c1-21-16-12-22(13-16)20-18-6-4-3-5-14(18)7-8-15-9-10-17(23-2)11-19(15)20/h3-6,9-11,16,20-21H,7-8,12-13H2,1-2H3
InChIKey
VIDUWIVCTNAZSQ-UHFFFAOYSA-N
Compound name
1-(5-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 173.7
[M+Na]+ 331.178088 178.8
[M-H]- 307.181594 181.2
[M+NH4]+ 326.222693 182.5
[M+K]+ 347.152028 180.0
[M+H-H2O]+ 291.186130 162.2
[M+HCOO]- 353.187071 190.5
[M+CH3COO]- 367.202721 183.2
[M+Na-2H]- 329.163536 177.8
[M]+ 308.18832142 178.6
[M]- 308.18941858 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.