CID 10001250

Schembl8703946

Structural Information

Molecular Formula
C24H33NO2
SMILES
CN1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC(=CC=C3)OC
InChI
InChI=1S/C24H33NO2/c1-25-16-8-11-21(18-25)19-27-24-15-6-5-13-22(24)12-4-3-9-20-10-7-14-23(17-20)26-2/h5-7,10,13-15,17,21H,3-4,8-9,11-12,16,18-19H2,1-2H3
InChIKey
DDWAVUOYXCFCBW-UHFFFAOYSA-N
Compound name
3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

367.25113 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25841 194.1
[M+Na]+ 390.24035 197.0
[M-H]- 366.24385 200.5
[M+NH4]+ 385.28495 204.4
[M+K]+ 406.21429 191.7
[M+H-H2O]+ 350.24839 182.8
[M+HCOO]- 412.24933 211.0
[M+CH3COO]- 426.26498 218.7
[M+Na-2H]- 388.22580 193.9
[M]+ 367.25058 193.9
[M]- 367.25168 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe