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]+ 305.201216 170.2
[M+Na]+ 327.183158 177.6
[M-H]- 303.186664 179.9
[M+NH4]+ 322.227763 176.7
[M+K]+ 343.157098 177.8
[M+H-H2O]+ 287.191200 159.5
[M+HCOO]- 349.192141 187.1
[M+CH3COO]- 363.207791 180.1
[M+Na-2H]- 325.168606 174.7
[M]+ 304.19339142 178.0
[M]- 304.19448858 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.