CID 6435009

Alpha-(m-methoxyphenyl)cinnamic acid 3-tropanyl ester hydrochloride

Structural Information

Molecular Formula
C24H27NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC(=CC=C4)OC
InChI
InChI=1S/C24H27NO3/c1-25-19-11-12-20(25)16-22(15-19)28-24(26)23(13-17-7-4-3-5-8-17)18-9-6-10-21(14-18)27-2/h3-10,13-14,19-20,22H,11-12,15-16H2,1-2H3/b23-13+
InChIKey
AVLGLTVMKVDSMN-YDZHTSKRSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(3-methoxyphenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 193.6
[M+Na]+ 400.18832 196.9
[M-H]- 376.19182 200.0
[M+NH4]+ 395.23292 206.6
[M+K]+ 416.16226 191.8
[M+H-H2O]+ 360.19636 184.0
[M+HCOO]- 422.19730 207.9
[M+CH3COO]- 436.21295 218.9
[M+Na-2H]- 398.17377 191.4
[M]+ 377.19855 192.1
[M]- 377.19965 192.1
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.