CID 5324346

Fluvoxamine

Structural Information

Molecular Formula
C15H21F3N2O2
SMILES
COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
InChIKey
CJOFXWAVKWHTFT-XSFVSMFZSA-N
Compound name
2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2986
References

45110
Patents

318.15552 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16280 173.4
[M+Na]+ 341.14474 178.4
[M-H]- 317.14824 173.0
[M+NH4]+ 336.18934 187.5
[M+K]+ 357.11868 175.5
[M+H-H2O]+ 301.15278 163.0
[M+HCOO]- 363.15372 193.6
[M+CH3COO]- 377.16937 213.6
[M+Na-2H]- 339.13019 175.3
[M]+ 318.15497 172.4
[M]- 318.15607 172.4
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.