CID 9840784

N-nitroso fluoxetine

Structural Information

Molecular Formula
C17H17F3N2O2
SMILES
CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)N=O
InChI
InChI=1S/C17H17F3N2O2/c1-22(21-23)12-11-16(13-5-3-2-4-6-13)24-15-9-7-14(8-10-15)17(18,19)20/h2-10,16H,11-12H2,1H3
InChIKey
AMFPKCLSNGLBNR-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1242 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13148 176.6
[M+Na]+ 361.11342 185.2
[M+NH4]+ 356.15802 181.5
[M+K]+ 377.08736 179.4
[M-H]- 337.11692 176.7
[M+Na-2H]- 359.09887 182.9
[M]+ 338.12365 177.6
[M]- 338.12475 177.6
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.