CID 203573

14692-50-3

Structural Information

Molecular Formula
C21H26N
SMILES
C[N+](C)(C)CCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C21H26N/c1-22(2,3)13-12-15-14-20-16-8-4-6-10-18(16)21(15)19-11-7-5-9-17(19)20/h4-11,15,20-21H,12-14H2,1-3H3/q+1
InChIKey
PLKZMNMTJGTBQF-UHFFFAOYSA-N
Compound name
trimethyl-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2065 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21378 169.8
[M+Na]+ 315.19572 173.4
[M-H]- 291.19922 173.0
[M+NH4]+ 310.24032 190.1
[M+K]+ 331.16966 163.2
[M+H-H2O]+ 275.20376 163.9
[M+HCOO]- 337.20470 182.3
[M+CH3COO]- 351.22035 210.9
[M+Na-2H]- 313.18117 181.8
[M]+ 292.20595 171.1
[M]- 292.20705 171.1
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.