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]+ 293.20122 170.3
[M+Na]+ 315.18316 174.9
[M-H]- 291.18666 178.7
[M+NH4]+ 310.22776 180.0
[M+K]+ 331.15710 176.3
[M+H-H2O]+ 275.19120 158.7
[M+HCOO]- 337.19214 187.4
[M+CH3COO]- 351.20779 180.1
[M+Na-2H]- 313.16861 174.3
[M]+ 292.19339 174.6
[M]- 292.19449 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.