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 159.7
[M+Na]+ 309.03382 166.9
[M-H]- 285.03732 164.1
[M+NH4]+ 304.07842 175.1
[M+K]+ 325.00776 164.1
[M+H-H2O]+ 269.04186 154.0
[M+HCOO]- 331.04280 165.0
[M+CH3COO]- 345.05845 169.9
[M+Na-2H]- 307.01927 158.4
[M]+ 286.04405 158.4
[M]- 286.04515 158.4
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.