CID 71224

Filenadol

Structural Information

Molecular Formula
C14H19NO4
SMILES
C[C@@H]([C@@H](C1=CC2=C(C=C1)OCO2)N3CCOCC3)O
InChI
InChI=1S/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,10,14,16H,4-7,9H2,1H3/t10-,14-/m0/s1
InChIKey
KFSXLIJSXOJBCB-HZMBPMFUSA-N
Compound name
(1R,2S)-1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

530
Patents

265.1314 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.6
[M+Na]+ 288.12062 164.4
[M-H]- 264.12412 166.3
[M+NH4]+ 283.16522 173.1
[M+K]+ 304.09456 165.7
[M+H-H2O]+ 248.12866 153.7
[M+HCOO]- 310.12960 172.9
[M+CH3COO]- 324.14525 170.9
[M+Na-2H]- 286.10607 163.5
[M]+ 265.13085 158.9
[M]- 265.13195 158.9
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