CID 6435098

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

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC(=CC=C4)N
InChI
InChI=1S/C23H26N2O2/c1-25-19-10-11-20(25)15-21(14-19)27-23(26)22(12-16-6-3-2-4-7-16)17-8-5-9-18(24)13-17/h2-9,12-13,19-21H,10-11,14-15,24H2,1H3/b22-12+
InChIKey
NHSGVNPARHXEPX-WSDLNYQXSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(3-aminophenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 189.5
[M+Na]+ 385.18865 200.4
[M+NH4]+ 380.23325 197.2
[M+K]+ 401.16259 194.6
[M-H]- 361.19215 194.2
[M+Na-2H]- 383.17410 194.1
[M]+ 362.19888 192.1
[M]- 362.19998 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.