CID 46781165

Desmethyl fluvoxamine

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
C1=CC(=CC=C1/C(=N/OCCN)/CCCCO)C(F)(F)F
InChI
InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+
InChIKey
GCSLDHTZSDNYEC-CPNJWEJPSA-N
Compound name
(5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

5
Patents

304.13986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14714 168.6
[M+Na]+ 327.12908 173.6
[M-H]- 303.13258 167.0
[M+NH4]+ 322.17368 182.6
[M+K]+ 343.10302 170.1
[M+H-H2O]+ 287.13712 158.7
[M+HCOO]- 349.13806 187.7
[M+CH3COO]- 363.15371 208.1
[M+Na-2H]- 325.11453 170.6
[M]+ 304.13931 165.4
[M]- 304.14041 165.4
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