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]+ 367.201616 189.0
[M+Na]+ 389.183558 194.2
[M-H]- 365.187064 196.1
[M+NH4]+ 384.228163 206.1
[M+K]+ 405.157498 189.0
[M+H-H2O]+ 349.191600 181.2
[M+HCOO]- 411.192541 203.2
[M+CH3COO]- 425.208191 198.0
[M+Na-2H]- 387.169006 183.3
[M]+ 366.19379142 187.4
[M]- 366.19488858 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.