CID 6435005

Brn 1504669

Structural Information

Molecular Formula
C23H25NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)O
InChI
InChI=1S/C23H25NO3/c1-24-18-9-10-19(24)15-21(14-18)27-23(26)22(13-16-5-3-2-4-6-16)17-7-11-20(25)12-8-17/h2-8,11-13,18-19,21,25H,9-10,14-15H2,1H3/b22-13+
InChIKey
XXPMCYXTMLXWIG-LPYMAVHISA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-hydroxyphenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 188.9
[M+Na]+ 386.17266 200.4
[M+NH4]+ 381.21726 196.4
[M+K]+ 402.14660 194.8
[M-H]- 362.17616 192.6
[M+Na-2H]- 384.15811 193.3
[M]+ 363.18289 191.4
[M]- 363.18399 191.4
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.