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]+ 276.17468 162.6
[M+Na]+ 298.15662 167.2
[M-H]- 274.16012 164.3
[M+NH4]+ 293.20122 184.8
[M+K]+ 314.13056 160.6
[M+H-H2O]+ 258.16466 153.5
[M+HCOO]- 320.16560 176.4
[M+CH3COO]- 334.18125 172.2
[M+Na-2H]- 296.14207 173.6
[M]+ 275.16685 163.0
[M]- 275.16795 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.