CID 21366

Brn 0547595

Structural Information

Molecular Formula
C11H14N2O3S2
SMILES
C1COCCN1CN2C(=O)C3=C(C2=O)SCCS3
InChI
InChI=1S/C11H14N2O3S2/c14-10-8-9(18-6-5-17-8)11(15)13(10)7-12-1-3-16-4-2-12/h1-7H2
InChIKey
YMGQVMSMGULWIP-UHFFFAOYSA-N
Compound name
6-(morpholin-4-ylmethyl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05188 160.1
[M+Na]+ 309.03382 169.6
[M+NH4]+ 304.07842 168.4
[M+K]+ 325.00776 162.4
[M-H]- 285.03732 163.4
[M+Na-2H]- 307.01927 161.7
[M]+ 286.04405 163.1
[M]- 286.04515 163.1
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.