CID 3053381

69844-13-9

Structural Information

Molecular Formula
C22H26N2O3
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI
InChI=1S/C22H26N2O3/c25-21-19-15-4-5-16(14-15)20(19)22(26)24(21)17-6-8-18(9-7-17)27-13-12-23-10-2-1-3-11-23/h4-9,15-16,19-20H,1-3,10-14H2
InChIKey
JHULCFUSJFJYCM-UHFFFAOYSA-N
Compound name
4-[4-(2-piperidin-1-ylethoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.0
[M+Na]+ 389.18356 194.2
[M-H]- 365.18706 196.1
[M+NH4]+ 384.22816 206.1
[M+K]+ 405.15750 189.0
[M+H-H2O]+ 349.19160 181.2
[M+HCOO]- 411.19254 203.2
[M+CH3COO]- 425.20819 198.0
[M+Na-2H]- 387.16901 183.3
[M]+ 366.19379 187.4
[M]- 366.19489 187.4
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.