CID 6433285

1-[3-[(e)-3-(3,5-dichlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

Structural Information

Molecular Formula
C18H22Cl2N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H22Cl2N2O/c1-2-18(23)22-16-5-6-17(22)12-21(11-16)7-3-4-13-8-14(19)10-15(20)9-13/h3-4,8-10,16-17H,2,5-7,11-12H2,1H3/b4-3+
InChIKey
OXINMAODBVKQNS-ONEGZZNKSA-N
Compound name
1-[3-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.11093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11821 181.0
[M+Na]+ 375.10015 194.0
[M+NH4]+ 370.14475 189.2
[M+K]+ 391.07409 186.5
[M-H]- 351.10365 182.7
[M+Na-2H]- 373.08560 183.8
[M]+ 352.11038 183.8
[M]- 352.11148 183.8
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.