CID 16206223

102207-23-8

Structural Information

Molecular Formula
C21H35N2O
SMILES
C[N+]1(CCCCC1)CCN(C2CCCCC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H35N2O/c1-23(16-7-4-8-17-23)18-15-22(19-9-5-3-6-10-19)20-11-13-21(24-2)14-12-20/h11-14,19H,3-10,15-18H2,1-2H3/q+1
InChIKey
BHDOPTIKCXSHGF-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.27493 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.28221 184.5
[M+Na]+ 354.26415 197.4
[M+NH4]+ 349.30875 196.0
[M+K]+ 370.23809 187.2
[M-H]- 330.26765 193.2
[M+Na-2H]- 352.24960 194.6
[M]+ 331.27438 189.3
[M]- 331.27548 189.3
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.