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]+ 320.14681 172.5
[M+Na]+ 342.12875 178.0
[M-H]- 318.13225 171.4
[M+NH4]+ 337.17335 186.5
[M+K]+ 358.10269 175.1
[M+H-H2O]+ 302.13679 162.7
[M+HCOO]- 364.13773 191.2
[M+CH3COO]- 378.15338 208.6
[M+Na-2H]- 340.11420 174.8
[M]+ 319.13898 173.0
[M]- 319.14008 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.