CID 52680

Brn 0489796

Structural Information

Molecular Formula
C20H24N2
SMILES
CN(C)C1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H24N2/c1-21(2)17-13-22(14-17)20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-10,17,20H,11-14H2,1-2H3
InChIKey
JUXICPBNDXIMMR-UHFFFAOYSA-N
Compound name
N,N-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.201216 170.3
[M+Na]+ 315.183158 174.9
[M-H]- 291.186664 178.7
[M+NH4]+ 310.227763 180.0
[M+K]+ 331.157098 176.3
[M+H-H2O]+ 275.191200 158.7
[M+HCOO]- 337.192141 187.4
[M+CH3COO]- 351.207791 180.1
[M+Na-2H]- 313.168606 174.3
[M]+ 292.19339142 174.6
[M]- 292.19448858 174.6
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.