CID 11243002

Naphyrone

Structural Information

Molecular Formula
C19H23NO
SMILES
CCCC(C(=O)C1=CC2=CC=CC=C2C=C1)N3CCCC3
InChI
InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3
InChIKey
DTNUPBSOODGRKW-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

90
Patents

281.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 169.4
[M+Na]+ 304.16720 181.4
[M+NH4]+ 299.21180 178.2
[M+K]+ 320.14114 175.2
[M-H]- 280.17070 173.2
[M+Na-2H]- 302.15265 175.6
[M]+ 281.17743 172.1
[M]- 281.17853 172.1
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