CID 6434994

Cinnamic acid, p-chloro-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride

Structural Information

Molecular Formula
C24H26ClNO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H26ClNO3/c1-26-19-9-10-20(26)15-22(14-19)29-24(27)23(13-16-3-7-18(25)8-4-16)17-5-11-21(28-2)12-6-17/h3-8,11-13,19-20,22H,9-10,14-15H2,1-2H3/b23-13+
InChIKey
OAYCNWNHWJKLEB-YDZHTSKRSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-3-(4-chlorophenyl)-2-(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 201.1
[M+Na]+ 434.14935 206.1
[M-H]- 410.15285 207.7
[M+NH4]+ 429.19395 213.9
[M+K]+ 450.12329 199.6
[M+H-H2O]+ 394.15739 192.2
[M+HCOO]- 456.15833 210.8
[M+CH3COO]- 470.17398 223.6
[M+Na-2H]- 432.13480 197.7
[M]+ 411.15958 202.4
[M]- 411.16068 202.4
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.