CID 13677831

Ec 425-080-8

Structural Information

Molecular Formula
C15H23FN2O2
SMILES
CO[C@H]1CN(CC[C@H]1N)CCCOC2=CC=C(C=C2)F
InChI
InChI=1S/C15H23FN2O2/c1-19-15-11-18(9-7-14(15)17)8-2-10-20-13-5-3-12(16)4-6-13/h3-6,14-15H,2,7-11,17H2,1H3/t14-,15+/m1/s1
InChIKey
DSIVABIEPNVRBB-CABCVRRESA-N
Compound name
(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

282.17435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18163 166.9
[M+Na]+ 305.16357 171.8
[M-H]- 281.16707 169.4
[M+NH4]+ 300.20817 180.8
[M+K]+ 321.13751 168.3
[M+H-H2O]+ 265.17161 157.2
[M+HCOO]- 327.17255 185.0
[M+CH3COO]- 341.18820 203.2
[M+Na-2H]- 303.14902 168.0
[M]+ 282.17380 163.7
[M]- 282.17490 163.7
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

patents stripe