CID 3052641

69159-51-9

Structural Information

Molecular Formula
C20H24N2
SMILES
CNC1CCN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H24N2/c1-21-17-12-13-22(14-17)20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20-21H,10-14H2,1H3
InChIKey
VQMOEFZWXQNKTP-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-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 171.0
[M+Na]+ 315.18316 175.9
[M-H]- 291.18666 178.6
[M+NH4]+ 310.22776 187.6
[M+K]+ 331.15710 173.0
[M+H-H2O]+ 275.19120 163.7
[M+HCOO]- 337.19214 188.7
[M+CH3COO]- 351.20779 180.9
[M+Na-2H]- 313.16861 173.8
[M]+ 292.19339 164.4
[M]- 292.19449 164.4
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.