CID 3046021

61450-43-9

Structural Information

Molecular Formula
C20H24N2
SMILES
CNCC1CCN1C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H24N2/c1-21-14-17-12-13-22(17)20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20-21H,10-14H2,1H3
InChIKey
NWLZJCINKZGUJX-UHFFFAOYSA-N
Compound name
N-methyl-1-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 170.0
[M+Na]+ 315.18316 174.6
[M-H]- 291.18666 177.2
[M+NH4]+ 310.22776 179.3
[M+K]+ 331.15710 174.8
[M+H-H2O]+ 275.19120 158.6
[M+HCOO]- 337.19214 186.8
[M+CH3COO]- 351.20779 179.4
[M+Na-2H]- 313.16861 174.8
[M]+ 292.19339 173.3
[M]- 292.19449 173.3
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.