CID 6436938

2016-81-1

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C(=C/C3=CC=CC=C3)/C
InChI
InChI=1S/C19H26N2O/c1-3-19(22)21-17-9-10-18(21)14-20(13-17)12-15(2)11-16-7-5-4-6-8-16/h4-8,11,17-18H,3,9-10,12-14H2,1-2H3/b15-11+
InChIKey
RQUSKNJBURBAJD-RVDMUPIBSA-N
Compound name
1-[3-[(E)-2-methyl-3-phenylprop-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

298.2045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 175.3
[M+Na]+ 321.19372 185.7
[M+NH4]+ 316.23832 183.0
[M+K]+ 337.16766 180.0
[M-H]- 297.19722 176.8
[M+Na-2H]- 319.17917 177.8
[M]+ 298.20395 177.0
[M]- 298.20505 177.0
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.