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 179.9
[M+Na]+ 333.19372 184.0
[M-H]- 309.19722 181.5
[M+NH4]+ 328.23832 195.0
[M+K]+ 349.16766 177.7
[M+H-H2O]+ 293.20176 170.8
[M+HCOO]- 355.20270 193.9
[M+CH3COO]- 369.21835 206.1
[M+Na-2H]- 331.17917 179.1
[M]+ 310.20395 176.9
[M]- 310.20505 176.9
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

patents stripe