CID 3048803

In 253

Structural Information

Molecular Formula
C19H28N2
SMILES
C[N+]1(CC2=CC=CC3=C2C(=CC=C3)C1)CCC[N+](C)(C)C
InChI
InChI=1S/C19H28N2/c1-20(2,3)12-7-13-21(4)14-17-10-5-8-16-9-6-11-18(15-21)19(16)17/h5-6,8-11H,7,12-15H2,1-4H3/q+2
InChIKey
AEYZUFBFLUSFEC-UHFFFAOYSA-N
Compound name
trimethyl-[3-(2-methyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.232526 168.8
[M+Na]+ 307.214468 174.6
[M-H]- 283.217974 172.9
[M+NH4]+ 302.259073 187.7
[M+K]+ 323.188408 159.5
[M+H-H2O]+ 267.222510 166.0
[M+HCOO]- 329.223451 185.1
[M+CH3COO]- 343.239101 198.3
[M+Na-2H]- 305.199916 181.6
[M]+ 284.22470142 167.4
[M]- 284.22579858 167.4
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.