CID 2051980

2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C14H17ClN2O5S
SMILES
C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H17ClN2O5S/c15-10-14(18)16-3-5-17(6-4-16)23(19,20)11-1-2-12-13(9-11)22-8-7-21-12/h1-2,9H,3-8,10H2
InChIKey
BADSZXHBCSWVAD-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.05466 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06194 175.7
[M+Na]+ 383.04388 181.8
[M-H]- 359.04738 180.9
[M+NH4]+ 378.08848 184.8
[M+K]+ 399.01782 180.2
[M+H-H2O]+ 343.05192 168.2
[M+HCOO]- 405.05286 178.1
[M+CH3COO]- 419.06851 206.1
[M+Na-2H]- 381.02933 179.4
[M]+ 360.05411 177.6
[M]- 360.05521 177.6
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.