CID 6436937

1798-70-5

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCC(=O)N1C2CCC1N(CC2)C/C=C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-2-20(23)22-18-12-13-19(22)21(16-14-18)15-8-4-7-11-17-9-5-3-6-10-17/h3-11,18-19H,2,12-16H2,1H3/b8-4+,11-7+
InChIKey
SWIUQMCZUSABHL-RIALUSDFSA-N
Compound name
1-[2-[(2E,4E)-5-phenylpenta-2,4-dienyl]-2,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 179.7
[M+Na]+ 333.19372 190.2
[M+NH4]+ 328.23832 187.0
[M+K]+ 349.16766 183.4
[M-H]- 309.19722 181.1
[M+Na-2H]- 331.17917 182.1
[M]+ 310.20395 181.3
[M]- 310.20505 181.3
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.