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]+ 293.201216 173.4
[M+Na]+ 315.183158 179.0
[M-H]- 291.186664 181.0
[M+NH4]+ 310.227763 184.5
[M+K]+ 331.157098 178.7
[M+H-H2O]+ 275.191200 162.0
[M+HCOO]- 337.192141 190.1
[M+CH3COO]- 351.207791 183.1
[M+Na-2H]- 313.168606 178.6
[M]+ 292.19339142 176.9
[M]- 292.19448858 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.