CID 56094

90619-44-6

Structural Information

Molecular Formula
C24H35N3O2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)C4CCC(C3=O)(C4(C)C)C
InChI
InChI=1S/C24H35N3O2/c1-18-6-8-19(9-7-18)26-16-14-25(15-17-26)12-5-13-27-21(28)20-10-11-24(4,22(27)29)23(20,2)3/h6-9,20H,5,10-17H2,1-4H3
InChIKey
BFXZCVJJQOLPMZ-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-[3-[4-(4-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.28020 201.1
[M+Na]+ 420.26214 207.0
[M-H]- 396.26564 204.9
[M+NH4]+ 415.30674 215.4
[M+K]+ 436.23608 200.9
[M+H-H2O]+ 380.27018 190.4
[M+HCOO]- 442.27112 210.1
[M+CH3COO]- 456.28677 208.3
[M+Na-2H]- 418.24759 198.0
[M]+ 397.27237 198.2
[M]- 397.27347 198.2
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.