CID 52690

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

Structural Information

Molecular Formula
C21H24N2
SMILES
CN(C)C1CN(C1)C2C3=CC=CC=C3C4CC4C5=CC=CC=C25
InChI
InChI=1S/C21H24N2/c1-22(2)14-12-23(13-14)21-17-9-5-3-7-15(17)19-11-20(19)16-8-4-6-10-18(16)21/h3-10,14,19-21H,11-13H2,1-2H3
InChIKey
PBASVMQUPVQBKB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

304.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 169.0
[M+Na]+ 327.18316 179.0
[M+NH4]+ 322.22776 175.7
[M+K]+ 343.15710 174.6
[M-H]- 303.18666 178.2
[M+Na-2H]- 325.16861 175.2
[M]+ 304.19339 173.3
[M]- 304.19449 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.