CID 43662

Brn 0415318

Structural Information

Molecular Formula
C20H24N2
SMILES
CC1(CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24)NC
InChI
InChI=1S/C20H24N2/c1-20(21-2)13-22(14-20)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19,21H,11-14H2,1-2H3
InChIKey
SOYKNULYTHULKB-UHFFFAOYSA-N
Compound name
N,3-dimethyl-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 173.4
[M+Na]+ 315.18316 179.0
[M-H]- 291.18666 181.0
[M+NH4]+ 310.22776 184.5
[M+K]+ 331.15710 178.7
[M+H-H2O]+ 275.19120 162.0
[M+HCOO]- 337.19214 190.1
[M+CH3COO]- 351.20779 183.1
[M+Na-2H]- 313.16861 178.6
[M]+ 292.19339 176.9
[M]- 292.19449 176.9
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.