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]+ 293.201216 170.0
[M+Na]+ 315.183158 174.6
[M-H]- 291.186664 177.2
[M+NH4]+ 310.227763 179.3
[M+K]+ 331.157098 174.8
[M+H-H2O]+ 275.191200 158.6
[M+HCOO]- 337.192141 186.8
[M+CH3COO]- 351.207791 179.4
[M+Na-2H]- 313.168606 174.8
[M]+ 292.19339142 173.3
[M]- 292.19448858 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.