CID 52681

Brn 0489797

Structural Information

Molecular Formula
C20H24N2
SMILES
CCNC1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H24N2/c1-2-21-17-13-22(14-17)20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-10,17,20-21H,2,11-14H2,1H3
InChIKey
ZLOSACSGONNLOL-UHFFFAOYSA-N
Compound name
N-ethyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 169.1
[M+Na]+ 315.18316 177.1
[M+NH4]+ 310.22776 174.5
[M+K]+ 331.15710 171.1
[M-H]- 291.18666 172.0
[M+Na-2H]- 313.16861 173.7
[M]+ 292.19339 170.2
[M]- 292.19449 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.