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 170.2
[M+Na]+ 327.18316 177.6
[M-H]- 303.18666 179.9
[M+NH4]+ 322.22776 176.7
[M+K]+ 343.15710 177.8
[M+H-H2O]+ 287.19120 159.5
[M+HCOO]- 349.19214 187.1
[M+CH3COO]- 363.20779 180.1
[M+Na-2H]- 325.16861 174.7
[M]+ 304.19339 178.0
[M]- 304.19449 178.0
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.