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]+ 309.19615 173.7
[M+Na]+ 331.17809 178.8
[M-H]- 307.18159 181.2
[M+NH4]+ 326.22269 182.5
[M+K]+ 347.15203 180.0
[M+H-H2O]+ 291.18613 162.2
[M+HCOO]- 353.18707 190.5
[M+CH3COO]- 367.20272 183.2
[M+Na-2H]- 329.16354 177.8
[M]+ 308.18832 178.6
[M]- 308.18942 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.