CID 3048799

In 316

Structural Information

Molecular Formula
C21H32N2
SMILES
CC[N+]1(CC2=CC=CC3=C2C(=CC=C3)C1)CCC[N+](C)(C)CC
InChI
InChI=1S/C21H32N2/c1-5-22(3,4)14-9-15-23(6-2)16-19-12-7-10-18-11-8-13-20(17-23)21(18)19/h7-8,10-13H,5-6,9,14-17H2,1-4H3/q+2
InChIKey
WMTMXOOGJKJIIF-UHFFFAOYSA-N
Compound name
ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.26384 178.3
[M+Na]+ 335.24578 183.2
[M-H]- 311.24928 182.0
[M+NH4]+ 330.29038 196.0
[M+K]+ 351.21972 167.6
[M+H-H2O]+ 295.25382 175.1
[M+HCOO]- 357.25476 193.8
[M+CH3COO]- 371.27041 204.2
[M+Na-2H]- 333.23123 190.0
[M]+ 312.25601 177.6
[M]- 312.25711 177.6
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.