CID 48026

Brn 0427607

Structural Information

Molecular Formula
C15H19ClN2O2S
SMILES
C1CCN(CC1)CCNC2=C(S(=O)(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C15H19ClN2O2S/c16-15-14(17-8-11-18-9-4-1-5-10-18)12-6-2-3-7-13(12)21(15,19)20/h2-3,6-7,17H,1,4-5,8-11H2
InChIKey
GJMCQOCRSNSQAB-UHFFFAOYSA-N
Compound name
2-chloro-1,1-dioxo-N-(2-piperidin-1-ylethyl)-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09285 171.4
[M+Na]+ 349.07479 180.1
[M-H]- 325.07829 177.4
[M+NH4]+ 344.11939 190.2
[M+K]+ 365.04873 173.9
[M+H-H2O]+ 309.08283 165.3
[M+HCOO]- 371.08377 182.7
[M+CH3COO]- 385.09942 182.4
[M+Na-2H]- 347.06024 173.3
[M]+ 326.08502 173.6
[M]- 326.08612 173.6
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.