CID 18037

2933-19-9

Structural Information

Molecular Formula
C20H35N2
SMILES
CC[N+](CC)(CC)CCN(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C20H35N2/c1-4-22(5-2,6-3)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20H,4-6,8,11-12,15-18H2,1-3H3/q+1
InChIKey
HCPLETGSVYHICS-UHFFFAOYSA-N
Compound name
2-(N-cyclohexylanilino)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.28003 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.28731 177.1
[M+Na]+ 326.26925 177.0
[M-H]- 302.27275 184.2
[M+NH4]+ 321.31385 192.1
[M+K]+ 342.24319 169.2
[M+H-H2O]+ 286.27729 170.9
[M+HCOO]- 348.27823 197.0
[M+CH3COO]- 362.29388 210.8
[M+Na-2H]- 324.25470 182.3
[M]+ 303.27948 173.5
[M]- 303.28058 173.5
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.