CID 156596464

(18f)ucb-h

Structural Information

Molecular Formula
C16H12F4N2O
SMILES
C1[C@@H](CN(C1=O)CC2=C(C=NC=C2)[18F])C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C16H12F4N2O/c17-12-3-10(4-13(18)16(12)20)11-5-15(23)22(8-11)7-9-1-2-21-6-14(9)19/h1-4,6,11H,5,7-8H2/t11-/m0/s1/i19-1
InChIKey
KNDCJGAPPBQUTQ-WIFCSBLESA-N
Compound name
(4R)-1-[(3-(18F)fluoranylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09838 170.1
[M+Na]+ 346.08032 181.0
[M-H]- 322.08382 172.8
[M+NH4]+ 341.12492 183.6
[M+K]+ 362.05426 174.1
[M+H-H2O]+ 306.08836 157.4
[M+HCOO]- 368.08930 186.4
[M+CH3COO]- 382.10495 208.7
[M+Na-2H]- 344.06577 167.8
[M]+ 323.09055 165.0
[M]- 323.09165 165.0
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.