CID 658746

4-(1,1-dioxido-2,3-dihydro-1-benzothien-3-yl)morpholine

Structural Information

Molecular Formula
C12H15NO3S
SMILES
C1COCCN1C2CS(=O)(=O)C3=CC=CC=C23
InChI
InChI=1S/C12H15NO3S/c14-17(15)9-11(13-5-7-16-8-6-13)10-3-1-2-4-12(10)17/h1-4,11H,5-9H2
InChIKey
GGAKYZFQZFWTLL-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

253.07727 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.084546 152.3
[M+Na]+ 276.066488 160.9
[M-H]- 252.069994 159.2
[M+NH4]+ 271.111093 172.1
[M+K]+ 292.040428 158.8
[M+H-H2O]+ 236.074530 146.4
[M+HCOO]- 298.075471 166.4
[M+CH3COO]- 312.091121 164.8
[M+Na-2H]- 274.051936 155.9
[M]+ 253.07672142 152.4
[M]- 253.07781858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.