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]+ 291.185556 164.9
[M+Na]+ 313.167498 172.7
[M-H]- 289.171004 173.6
[M+NH4]+ 308.212103 171.4
[M+K]+ 329.141438 172.0
[M+H-H2O]+ 273.175540 154.5
[M+HCOO]- 335.176481 181.7
[M+CH3COO]- 349.192131 174.8
[M+Na-2H]- 311.152946 170.7
[M]+ 290.17773142 171.4
[M]- 290.17882858 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.