CID 43973

Brn 1393674

Structural Information

Molecular Formula
C17H25ClN2O2S
SMILES
CCN(CC)CCCC(C)NC1=C(S(=O)(=O)C2=CC=CC=C21)Cl
InChI
InChI=1S/C17H25ClN2O2S/c1-4-20(5-2)12-8-9-13(3)19-16-14-10-6-7-11-15(14)23(21,22)17(16)18/h6-7,10-11,13,19H,4-5,8-9,12H2,1-3H3
InChIKey
QCTDFTPVWGMFEM-UHFFFAOYSA-N
Compound name
4-N-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.13254 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13982 182.4
[M+Na]+ 379.12176 192.3
[M+NH4]+ 374.16636 191.5
[M+K]+ 395.09570 183.1
[M-H]- 355.12526 184.9
[M+Na-2H]- 377.10721 187.4
[M]+ 356.13199 185.3
[M]- 356.13309 185.3
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.