CID 24842920

102207-34-1

Structural Information

Molecular Formula
C22H31N2O
SMILES
C[N+]1(CCCCC1)CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C22H31N2O/c1-24(16-7-4-8-17-24)18-15-23(21-9-5-3-6-10-21)19-20-11-13-22(25-2)14-12-20/h3,5-6,9-14H,4,7-8,15-19H2,1-2H3/q+1
InChIKey
SDKOEIGDCLGCBK-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.24365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.25093 184.8
[M+Na]+ 362.23287 200.3
[M+NH4]+ 357.27747 196.3
[M+K]+ 378.20681 189.2
[M-H]- 338.23637 194.1
[M+Na-2H]- 360.21832 197.3
[M]+ 339.24310 190.3
[M]- 339.24420 190.3
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.