CID 137500045

Alpibectir

Structural Information

Molecular Formula
C12H14F6N2O2
SMILES
C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F
InChI
InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2
InChIKey
ZEAVKHMQTZBUND-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

19
Patents

332.09595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10323 169.2
[M+Na]+ 355.08517 176.4
[M-H]- 331.08867 164.6
[M+NH4]+ 350.12977 182.8
[M+K]+ 371.05911 174.1
[M+H-H2O]+ 315.09321 157.8
[M+HCOO]- 377.09415 175.7
[M+CH3COO]- 391.10980 203.3
[M+Na-2H]- 353.07062 170.9
[M]+ 332.09540 158.8
[M]- 332.09650 158.8
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

patents stripe