CID 141711555

2126737-29-7

Structural Information

Molecular Formula
C16H22F3N3O2
SMILES
C[C@@H]1COCCN1C2=CC(=O)NC(=C2)N3CCCC[C@H]3C(F)(F)F
InChI
InChI=1S/C16H22F3N3O2/c1-11-10-24-7-6-21(11)12-8-14(20-15(23)9-12)22-5-3-2-4-13(22)16(17,18)19/h8-9,11,13H,2-7,10H2,1H3,(H,20,23)/t11-,13+/m1/s1
InChIKey
IARAUFAUVKBTEM-YPMHNXCESA-N
Compound name
4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

345.1664 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17368 184.2
[M+Na]+ 368.15562 189.3
[M-H]- 344.15912 184.0
[M+NH4]+ 363.20022 190.8
[M+K]+ 384.12956 184.4
[M+H-H2O]+ 328.16366 170.9
[M+HCOO]- 390.16460 189.6
[M+CH3COO]- 404.18025 208.0
[M+Na-2H]- 366.14107 183.3
[M]+ 345.16585 172.8
[M]- 345.16695 172.8
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

patents stripe