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]+ 293.201216 171.0
[M+Na]+ 315.183158 175.9
[M-H]- 291.186664 178.6
[M+NH4]+ 310.227763 187.6
[M+K]+ 331.157098 173.0
[M+H-H2O]+ 275.191200 163.7
[M+HCOO]- 337.192141 188.7
[M+CH3COO]- 351.207791 180.9
[M+Na-2H]- 313.168606 173.8
[M]+ 292.19339142 164.4
[M]- 292.19448858 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.