CID 24945152

Schembl4389694

Structural Information

Molecular Formula
C20H25N3O3S
SMILES
C1CCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H25N3O3S/c24-20(21-11-4-1-5-12-21)22-13-15-23(16-14-22)27(25,26)19-10-6-8-17-7-2-3-9-18(17)19/h2-3,6-10H,1,4-5,11-16H2
InChIKey
FVGJQXBVEVXXEH-UHFFFAOYSA-N
Compound name
(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.16165 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16893 190.8
[M+Na]+ 410.15087 194.0
[M-H]- 386.15437 195.0
[M+NH4]+ 405.19547 198.4
[M+K]+ 426.12481 188.5
[M+H-H2O]+ 370.15891 180.1
[M+HCOO]- 432.15985 195.4
[M+CH3COO]- 446.17550 197.1
[M+Na-2H]- 408.13632 191.8
[M]+ 387.16110 185.0
[M]- 387.16220 185.0
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

patents stripe