CID 6434996

Cinnamic acid, alpha-(p-chlorophenyl)-p-methoxy-, 3-tropanyl ester, hydrochloride

Structural Information

Molecular Formula
C24H26ClNO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H26ClNO3/c1-26-19-9-10-20(26)15-22(14-19)29-24(27)23(17-5-7-18(25)8-6-17)13-16-3-11-21(28-2)12-4-16/h3-8,11-13,19-20,22H,9-10,14-15H2,1-2H3/b23-13+
InChIKey
WLAHHYDVYJRZPE-YDZHTSKRSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16013 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16741 198.1
[M+Na]+ 434.14935 211.2
[M+NH4]+ 429.19395 206.1
[M+K]+ 450.12329 204.3
[M-H]- 410.15285 202.4
[M+Na-2H]- 432.13480 202.8
[M]+ 411.15958 201.4
[M]- 411.16068 201.4
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.