CID 16226871

929973-02-4

Structural Information

Molecular Formula
C16H21ClN2O3S
SMILES
C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCl
InChI
InChI=1S/C16H21ClN2O3S/c17-12-16(20)18-7-9-19(10-8-18)23(21,22)15-6-5-13-3-1-2-4-14(13)11-15/h5-6,11H,1-4,7-10,12H2
InChIKey
LDVXWIYWRRICLQ-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.09613 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10341 179.0
[M+Na]+ 379.08535 184.1
[M-H]- 355.08885 182.2
[M+NH4]+ 374.12995 190.9
[M+K]+ 395.05929 178.8
[M+H-H2O]+ 339.09339 171.2
[M+HCOO]- 401.09433 181.7
[M+CH3COO]- 415.10998 207.0
[M+Na-2H]- 377.07080 180.1
[M]+ 356.09558 177.7
[M]- 356.09668 177.7
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.