CID 165934748

N-nitroso duloxetine

Structural Information

Molecular Formula
C18H18N2O2S
SMILES
CN(CCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32)N=O
InChI
InChI=1S/C18H18N2O2S/c1-20(19-21)12-11-17(18-10-5-13-23-18)22-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3
InChIKey
RPVCVCXTFJVSSY-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1089 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11618 173.8
[M+Na]+ 349.09812 186.5
[M+NH4]+ 344.14272 183.1
[M+K]+ 365.07206 178.3
[M-H]- 325.10162 180.2
[M+Na-2H]- 347.08357 183.1
[M]+ 326.10835 178.0
[M]- 326.10945 178.0
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.