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)fluoro-4-pyridinyl)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]+ 324.098376 170.1
[M+Na]+ 346.080318 181.0
[M-H]- 322.083824 172.8
[M+NH4]+ 341.124923 183.6
[M+K]+ 362.054258 174.1
[M+H-H2O]+ 306.088360 157.4
[M+HCOO]- 368.089301 186.4
[M+CH3COO]- 382.104951 208.7
[M+Na-2H]- 344.065766 167.8
[M]+ 323.09055142 165.0
[M]- 323.09164858 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.