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 185.1
[M+Na]+ 354.26415 184.4
[M-H]- 330.26765 191.9
[M+NH4]+ 349.30875 198.4
[M+K]+ 370.23809 175.7
[M+H-H2O]+ 314.27219 176.9
[M+HCOO]- 376.27313 199.5
[M+CH3COO]- 390.28878 207.9
[M+Na-2H]- 352.24960 187.7
[M]+ 331.27438 176.5
[M]- 331.27548 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.