CID 163876

112058-90-9

Structural Information

Molecular Formula
C19H22FNO3
SMILES
COC1=C(C=CC(=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O
InChI
InChI=1S/C19H22FNO3/c1-23-19-10-16(6-7-18(19)22)24-12-14-11-21-9-8-17(14)13-2-4-15(20)5-3-13/h2-7,10,14,17,21-22H,8-9,11-12H2,1H3/t14-,17-/m0/s1
InChIKey
DTXXMQRFTUCBHG-YOEHRIQHSA-N
Compound name
4-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

33
Patents

331.1584 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16568 181.6
[M+Na]+ 354.14762 194.3
[M+NH4]+ 349.19222 188.3
[M+K]+ 370.12156 186.7
[M-H]- 330.15112 185.1
[M+Na-2H]- 352.13307 188.4
[M]+ 331.15785 184.3
[M]- 331.15895 184.3
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