CID 52678

1-(dibenzo(a,e)cyclopropa(c)cyclohept-6-yl)-3-(methylamino)azetidine

Structural Information

Molecular Formula
C20H22N2
SMILES
CNC1CN(C1)C2C3=CC=CC=C3C4CC4C5=CC=CC=C25
InChI
InChI=1S/C20H22N2/c1-21-13-11-22(12-13)20-16-8-4-2-6-14(16)18-10-19(18)15-7-3-5-9-17(15)20/h2-9,13,18-21H,10-12H2,1H3
InChIKey
RGHXRTLUEYSCGT-UHFFFAOYSA-N
Compound name
N-methyl-1-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 164.9
[M+Na]+ 313.16750 172.7
[M-H]- 289.17100 173.6
[M+NH4]+ 308.21210 171.4
[M+K]+ 329.14144 172.0
[M+H-H2O]+ 273.17554 154.5
[M+HCOO]- 335.17648 181.7
[M+CH3COO]- 349.19213 174.8
[M+Na-2H]- 311.15295 170.7
[M]+ 290.17773 171.4
[M]- 290.17883 171.4
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.