CID 6437879

63977-70-8

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCC(=O)N1CC2CCC(C1)N2C/C=C/C3=CC=C(C=C3)OCC
InChI
InChI=1S/C20H28N2O2/c1-3-20(23)21-14-17-9-10-18(15-21)22(17)13-5-6-16-7-11-19(12-8-16)24-4-2/h5-8,11-12,17-18H,3-4,9-10,13-15H2,1-2H3/b6-5+
InChIKey
IZHBNGWJQRGLSY-AATRIKPKSA-N
Compound name
1-[8-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 183.1
[M+Na]+ 351.20432 193.4
[M+NH4]+ 346.24892 190.1
[M+K]+ 367.17826 187.5
[M-H]- 327.20782 184.3
[M+Na-2H]- 349.18977 184.9
[M]+ 328.21455 184.6
[M]- 328.21565 184.6
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.