CID 43610

61356-04-5

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C1CCN(CC1)CCOC2=CC=CC(=C2)N3C(=O)C4CC=CCC4C3=O
InChI
InChI=1S/C21H26N2O3/c24-20-18-9-2-3-10-19(18)21(25)23(20)16-7-6-8-17(15-16)26-14-13-22-11-4-1-5-12-22/h2-3,6-8,15,18-19H,1,4-5,9-14H2
InChIKey
AAGDNXXISDPRQF-UHFFFAOYSA-N
Compound name
2-[3-(2-piperidin-1-ylethoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.9
[M+Na]+ 377.18356 199.3
[M+NH4]+ 372.22816 195.2
[M+K]+ 393.15750 193.3
[M-H]- 353.18706 192.2
[M+Na-2H]- 375.16901 192.5
[M]+ 354.19379 190.5
[M]- 354.19489 190.5
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.