CID 6435007

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

Structural Information

Molecular Formula
C25H29NO4
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H29NO4/c1-26-19-8-9-20(26)16-23(15-19)30-25(27)24(18-6-12-22(29-3)13-7-18)14-17-4-10-21(28-2)11-5-17/h4-7,10-14,19-20,23H,8-9,15-16H2,1-3H3/b24-14+
InChIKey
FOWQXEDELYMMEB-ZVHZXABRSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.216936 200.9
[M+Na]+ 430.198878 204.3
[M-H]- 406.202384 207.4
[M+NH4]+ 425.243483 212.8
[M+K]+ 446.172818 199.9
[M+H-H2O]+ 390.206920 191.2
[M+HCOO]- 452.207861 214.9
[M+CH3COO]- 466.223511 225.2
[M+Na-2H]- 428.184326 197.7
[M]+ 407.20911142 201.5
[M]- 407.21020858 201.5
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.