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]+ 285.23253 165.6
[M+Na]+ 307.21447 183.6
[M+NH4]+ 302.25907 179.6
[M+K]+ 323.18841 173.3
[M-H]- 283.21797 173.4
[M+Na-2H]- 305.19992 175.7
[M]+ 284.22470 171.7
[M]- 284.22580 171.7
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.