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
7
Annotation Hits

2981
References

45475
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

literature stripe

Patent stripe

patents stripe