CID 214843

34419-11-9

Structural Information

Molecular Formula
C12H14N2O4S2
SMILES
C1COCCN1C(=O)CN2C(=O)C3=C(C2=O)SCCS3
InChI
InChI=1S/C12H14N2O4S2/c15-8(13-1-3-18-4-2-13)7-14-11(16)9-10(12(14)17)20-6-5-19-9/h1-7H2
InChIKey
MQCCJLPAZUCWNL-UHFFFAOYSA-N
Compound name
6-(2-morpholin-4-yl-2-oxoethyl)-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

314.0395 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04678 166.9
[M+Na]+ 337.02872 173.2
[M-H]- 313.03222 171.1
[M+NH4]+ 332.07332 180.8
[M+K]+ 353.00266 170.6
[M+H-H2O]+ 297.03676 161.2
[M+HCOO]- 359.03770 171.1
[M+CH3COO]- 373.05335 176.3
[M+Na-2H]- 335.01417 164.6
[M]+ 314.03895 166.0
[M]- 314.04005 166.0
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.