CID 155804635

18f-synvest-1

Structural Information

Molecular Formula
C17H16F2N2O
SMILES
CC1=C(C=CN=C1)CN2C[C@H](CC2=O)C3=CC(=CC(=C3)F)[18F]
InChI
InChI=1S/C17H16F2N2O/c1-11-8-20-3-2-12(11)9-21-10-14(6-17(21)22)13-4-15(18)7-16(19)5-13/h2-5,7-8,14H,6,9-10H2,1H3/t14-/m0/s1/i18-1
InChIKey
JLTZBYZOWVBLBQ-ZTHDBDNZSA-N
Compound name
(4R)-4-(3-(18F)fluoranyl-5-fluorophenyl)-1-[(3-methylpyridin-4-yl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

301.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13288 174.1
[M+Na]+ 324.11482 186.9
[M+NH4]+ 319.15942 180.5
[M+K]+ 340.08876 180.8
[M-H]- 300.11832 176.0
[M+Na-2H]- 322.10027 180.5
[M]+ 301.12505 176.3
[M]- 301.12615 176.3
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

No patent data available for this compound.