CID 172931281

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-CPNJWEJPSA-N
Compound name
2-[(E)-[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 173.9
[M+Na]+ 356.10802 179.2
[M-H]- 332.11152 172.8
[M+NH4]+ 351.15262 187.0
[M+K]+ 372.08196 176.9
[M+H-H2O]+ 316.11606 164.0
[M+HCOO]- 378.11700 191.9
[M+CH3COO]- 392.13265 210.7
[M+Na-2H]- 354.09347 175.1
[M]+ 333.11825 174.4
[M]- 333.11935 174.4
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.