CID 43976

Brn 1223069

Structural Information

Molecular Formula
C14H17ClN2O3S
SMILES
C1COCCN1CCNC2=C(S(=O)(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C14H17ClN2O3S/c15-14-13(16-5-6-17-7-9-20-10-8-17)11-3-1-2-4-12(11)21(14,18)19/h1-4,16H,5-10H2
InChIKey
YVEJGOYXUQXGFF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-morpholin-4-ylethyl)-1,1-dioxo-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07213 169.8
[M+Na]+ 351.05407 179.0
[M-H]- 327.05757 176.7
[M+NH4]+ 346.09867 187.3
[M+K]+ 367.02801 174.6
[M+H-H2O]+ 311.06211 164.0
[M+HCOO]- 373.06305 180.9
[M+CH3COO]- 387.07870 181.3
[M+Na-2H]- 349.03952 173.1
[M]+ 328.06430 173.6
[M]- 328.06540 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.