CID 6435004

Brn 1504631

Structural Information

Molecular Formula
C23H25NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC(=CC=C4)O
InChI
InChI=1S/C23H25NO3/c1-24-18-10-11-19(24)15-21(14-18)27-23(26)22(12-16-6-3-2-4-7-16)17-8-5-9-20(25)13-17/h2-9,12-13,18-19,21,25H,10-11,14-15H2,1H3/b22-12+
InChIKey
QRCMSWRNBBKWCZ-WSDLNYQXSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(3-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 192.2
[M-H]- 362.17616 194.2
[M+NH4]+ 381.21726 201.8
[M+K]+ 402.14660 186.6
[M+H-H2O]+ 346.18070 179.9
[M+HCOO]- 408.18164 202.1
[M+CH3COO]- 422.19729 196.8
[M+Na-2H]- 384.15811 186.9
[M]+ 363.18289 185.3
[M]- 363.18399 185.3
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.