CID 5468170

Nsc665723

Structural Information

Molecular Formula
C23H25NO3
SMILES
C1CN2CCC1C(C2)OC(=O)C(/C=C/C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H25NO3/c25-22(27-21-17-24-15-12-19(21)13-16-24)23(26,20-9-5-2-6-10-20)14-11-18-7-3-1-4-8-18/h1-11,14,19,21,26H,12-13,15-17H2/b14-11+
InChIKey
ZNJFSXPVEZDYHT-SDNWHVSQSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2,4-diphenylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 184.4
[M+Na]+ 386.17266 184.5
[M-H]- 362.17616 183.0
[M+NH4]+ 381.21726 197.8
[M+K]+ 402.14660 179.5
[M+H-H2O]+ 346.18070 175.4
[M+HCOO]- 408.18164 189.9
[M+CH3COO]- 422.19729 190.0
[M+Na-2H]- 384.15811 192.9
[M]+ 363.18289 183.2
[M]- 363.18399 183.2
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.