CID 92034990

Fluvoxamine metabolite e

Structural Information

Molecular Formula
C15H18F3NO4
SMILES
COCCCC/C(=N/OCC(=O)O)/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C15H18F3NO4/c1-22-9-3-2-4-13(19-23-10-14(20)21)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2-4,9-10H2,1H3,(H,20,21)/b19-13-
InChIKey
RZBIFDHWSNHWOH-UYRXBGFRSA-N
Compound name
2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1188 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12608 176.9
[M+Na]+ 356.10802 182.4
[M+NH4]+ 351.15262 179.4
[M+K]+ 372.08196 178.5
[M-H]- 332.11152 171.9
[M+Na-2H]- 354.09347 177.9
[M]+ 333.11825 175.6
[M]- 333.11935 175.6
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.