CID 204443

Brn 0622400

Structural Information

Molecular Formula
C19H25ClN2O
SMILES
C1CC2CCC(C(C1)C2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H25ClN2O/c20-15-4-2-5-16(13-15)21-9-11-22(12-10-21)18-8-7-14-3-1-6-17(18)19(14)23/h2,4-5,13-14,17-18H,1,3,6-12H2
InChIKey
GTHZOCVRCNKEKS-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]bicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.16553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17281 181.5
[M+Na]+ 355.15475 185.2
[M-H]- 331.15825 185.2
[M+NH4]+ 350.19935 194.0
[M+K]+ 371.12869 178.4
[M+H-H2O]+ 315.16279 170.8
[M+HCOO]- 377.16373 186.3
[M+CH3COO]- 391.17938 188.7
[M+Na-2H]- 353.14020 181.3
[M]+ 332.16498 174.0
[M]- 332.16608 174.0
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.