CID 3040640

Brn 0574861

Structural Information

Molecular Formula
C16H21NO5S2
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCSCC2)OC
InChI
InChI=1S/C16H21NO5S2/c1-4-21-16(18)22-14-12(19-2)9-11(10-13(14)20-3)15(23)17-5-7-24-8-6-17/h9-10H,4-8H2,1-3H3
InChIKey
RQQFWCGBEUOWQW-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(thiomorpholine-4-carbothioyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.08612 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09340 182.0
[M+Na]+ 394.07534 186.5
[M-H]- 370.07884 185.9
[M+NH4]+ 389.11994 193.3
[M+K]+ 410.04928 183.0
[M+H-H2O]+ 354.08338 174.1
[M+HCOO]- 416.08432 188.9
[M+CH3COO]- 430.09997 211.5
[M+Na-2H]- 392.06079 178.8
[M]+ 371.08557 186.6
[M]- 371.08667 186.6
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.