CID 3034579

Morpholine, 4-((2,3-dihydrobenzo(b)thien-3-ylidene)methyl)-, s,s-dioxide

Structural Information

Molecular Formula
C13H15NO3S
SMILES
C1COCCN1/C=C\2/CS(=O)(=O)C3=CC=CC=C23
InChI
InChI=1S/C13H15NO3S/c15-18(16)10-11(9-14-5-7-17-8-6-14)12-3-1-2-4-13(12)18/h1-4,9H,5-8,10H2/b11-9-
InChIKey
MMOKULXFFZJXIR-LUAWRHEFSA-N
Compound name
(3E)-3-(morpholin-4-ylmethylidene)-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07727 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.084546 156.3
[M+Na]+ 288.066488 164.8
[M-H]- 264.069994 163.1
[M+NH4]+ 283.111093 175.6
[M+K]+ 304.040428 161.9
[M+H-H2O]+ 248.074530 150.3
[M+HCOO]- 310.075471 170.2
[M+CH3COO]- 324.091121 168.5
[M+Na-2H]- 286.051936 159.4
[M]+ 265.07672142 156.0
[M]- 265.07781858 156.0
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.