CID 18362

(2-(n-cyclohexylanilino)ethyl)diisopropylmethylammonium iodide

Structural Information

Molecular Formula
C21H37N2
SMILES
CC(C)[N+](C)(CCN(C1CCCCC1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C21H37N2/c1-18(2)23(5,19(3)4)17-16-22(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6,8-9,12-13,18-19,21H,7,10-11,14-17H2,1-5H3/q+1
InChIKey
SANMZWMYKBBSCJ-UHFFFAOYSA-N
Compound name
2-(N-cyclohexylanilino)ethyl-methyl-di(propan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2957 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.30298 181.0
[M+Na]+ 340.28492 179.9
[M-H]- 316.28842 188.0
[M+NH4]+ 335.32952 195.2
[M+K]+ 356.25886 173.0
[M+H-H2O]+ 300.29296 175.0
[M+HCOO]- 362.29390 198.6
[M+CH3COO]- 376.30955 215.2
[M+Na-2H]- 338.27037 183.4
[M]+ 317.29515 176.5
[M]- 317.29625 176.5
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.