CID 56098

90619-46-8

Structural Information

Molecular Formula
C23H32ClN3O2
SMILES
CC1(C2CCC1(C(=O)N(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)Cl)C)C
InChI
InChI=1S/C23H32ClN3O2/c1-22(2)19-9-10-23(22,3)21(29)27(20(19)28)12-4-11-25-13-15-26(16-14-25)18-7-5-17(24)6-8-18/h5-8,19H,4,9-16H2,1-3H3
InChIKey
PBFDKMMZRCUSKD-UHFFFAOYSA-N
Compound name
3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2183 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22558 203.3
[M+Na]+ 440.20752 210.2
[M-H]- 416.21102 207.0
[M+NH4]+ 435.25212 217.6
[M+K]+ 456.18146 203.0
[M+H-H2O]+ 400.21556 192.8
[M+HCOO]- 462.21650 208.1
[M+CH3COO]- 476.23215 210.4
[M+Na-2H]- 438.19297 200.2
[M]+ 417.21775 202.1
[M]- 417.21885 202.1
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.