CID 154032615

Fluvoxamine metabolite f2

Structural Information

Molecular Formula
C15H20F3NO3
SMILES
COCCCC/C(=N/OCCO)/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C15H20F3NO3/c1-21-10-3-2-4-14(19-22-11-9-20)12-5-7-13(8-6-12)15(16,17)18/h5-8,20H,2-4,9-11H2,1H3/b19-14-
InChIKey
QYOYKCRNFLJCNH-RGEXLXHISA-N
Compound name
2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

319.13953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.146806 172.5
[M+Na]+ 342.128748 178.0
[M-H]- 318.132254 171.4
[M+NH4]+ 337.173353 186.5
[M+K]+ 358.102688 175.1
[M+H-H2O]+ 302.136790 162.7
[M+HCOO]- 364.137731 191.2
[M+CH3COO]- 378.153381 208.6
[M+Na-2H]- 340.114196 174.8
[M]+ 319.13898142 173.0
[M]- 319.14007858 173.0
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

No patent data available for this compound.