CID 6433182

448-32-8

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCC(=O)N1CC2CC1CN(C2)C/C=C(/C)\C3=CC=CC=C3
InChI
InChI=1S/C19H26N2O/c1-3-19(22)21-13-16-11-18(21)14-20(12-16)10-9-15(2)17-7-5-4-6-8-17/h4-9,16,18H,3,10-14H2,1-2H3/b15-9-
InChIKey
ZHLXSLIAVTZVCV-DHDCSXOGSA-N
Compound name
1-[3-[(Z)-3-phenylbut-2-enyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 176.4
[M+Na]+ 321.193718 180.2
[M-H]- 297.197224 178.3
[M+NH4]+ 316.238323 191.9
[M+K]+ 337.167658 175.3
[M+H-H2O]+ 281.201760 167.6
[M+HCOO]- 343.202701 189.6
[M+CH3COO]- 357.218351 205.4
[M+Na-2H]- 319.179166 175.1
[M]+ 298.20395142 173.3
[M]- 298.20504858 173.3
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.