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

15
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 168.5
[M+Na]+ 324.11482 178.0
[M-H]- 300.11832 173.5
[M+NH4]+ 319.15942 182.8
[M+K]+ 340.08876 171.9
[M+H-H2O]+ 284.12286 157.4
[M+HCOO]- 346.12380 186.7
[M+CH3COO]- 360.13945 179.6
[M+Na-2H]- 322.10027 167.7
[M]+ 301.12505 165.6
[M]- 301.12615 165.6
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.