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]+ 408.21694 200.9
[M+Na]+ 430.19888 204.3
[M-H]- 406.20238 207.4
[M+NH4]+ 425.24348 212.8
[M+K]+ 446.17282 199.9
[M+H-H2O]+ 390.20692 191.2
[M+HCOO]- 452.20786 214.9
[M+CH3COO]- 466.22351 225.2
[M+Na-2H]- 428.18433 197.7
[M]+ 407.20911 201.5
[M]- 407.21021 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.