CID 56092

90619-42-4

Structural Information

Molecular Formula
C24H35N3O2
SMILES
CC1=CC=CC=C1C2CNCCN2CCCN3C(=O)C4CCC(C3=O)(C4(C)C)C
InChI
InChI=1S/C24H35N3O2/c1-17-8-5-6-9-18(17)20-16-25-12-15-26(20)13-7-14-27-21(28)19-10-11-24(4,22(27)29)23(19,2)3/h5-6,8-9,19-20,25H,7,10-16H2,1-4H3
InChIKey
SZNNOUKSCZOOOW-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-[3-[2-(2-methylphenyl)piperazin-1-yl]propyl]-3-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.27292 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.28020 202.2
[M+Na]+ 420.26214 212.7
[M+NH4]+ 415.30674 211.3
[M+K]+ 436.23608 203.1
[M-H]- 396.26564 204.6
[M+Na-2H]- 418.24759 206.1
[M]+ 397.27237 204.5
[M]- 397.27347 204.5
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.