CID 76965892

38849-14-8

Structural Information

Molecular Formula
C20H21N
SMILES
CNC/C=C/C12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C20H21N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-10,12,15,21H,11,13-14H2,1H3/b12-6+
InChIKey
AVGBUXKOOSTZQV-WUXMJOGZSA-N
Compound name
(E)-N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.174676 162.6
[M+Na]+ 298.156618 167.2
[M-H]- 274.160124 164.3
[M+NH4]+ 293.201223 184.8
[M+K]+ 314.130558 160.6
[M+H-H2O]+ 258.164660 153.5
[M+HCOO]- 320.165601 176.4
[M+CH3COO]- 334.181251 172.2
[M+Na-2H]- 296.142066 173.6
[M]+ 275.16685142 163.0
[M]- 275.16794858 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.