CID 6435015

67210-61-1

Structural Information

Molecular Formula
C24H24F3NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H24F3NO2/c1-28-19-11-12-20(28)15-21(14-19)30-23(29)22(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(25,26)27/h2-10,13,19-21H,11-12,14-15H2,1H3/b22-13+
InChIKey
FSJCUDQUHAQXNF-LPYMAVHISA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1759 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18318 201.0
[M+Na]+ 438.16512 205.2
[M-H]- 414.16862 203.6
[M+NH4]+ 433.20972 212.6
[M+K]+ 454.13906 198.6
[M+H-H2O]+ 398.17316 189.4
[M+HCOO]- 460.17410 210.3
[M+CH3COO]- 474.18975 224.4
[M+Na-2H]- 436.15057 197.8
[M]+ 415.17535 194.5
[M]- 415.17645 194.5
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.