CID 6435004

Cinnamic acid, alpha-(m-hydroxyphenyl)-, 3-tropanyl ester

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]+ 364.190716 188.9
[M+Na]+ 386.172658 192.2
[M-H]- 362.176164 194.2
[M+NH4]+ 381.217263 201.8
[M+K]+ 402.146598 186.6
[M+H-H2O]+ 346.180700 179.9
[M+HCOO]- 408.181641 202.1
[M+CH3COO]- 422.197291 196.8
[M+Na-2H]- 384.158106 186.9
[M]+ 363.18289142 185.3
[M]- 363.18398858 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.