CID 3054039

Brn 0574860

Structural Information

Molecular Formula
C16H21NO6S
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCOCC2)OC
InChI
InChI=1S/C16H21NO6S/c1-4-22-16(18)23-14-12(19-2)9-11(10-13(14)20-3)15(24)17-5-7-21-8-6-17/h9-10H,4-8H2,1-3H3
InChIKey
VXPJBCFEFKXMIS-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.10895 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11623 180.4
[M+Na]+ 378.09817 185.3
[M-H]- 354.10167 185.8
[M+NH4]+ 373.14277 190.9
[M+K]+ 394.07211 184.9
[M+H-H2O]+ 338.10621 172.0
[M+HCOO]- 400.10715 192.3
[M+CH3COO]- 414.12280 209.7
[M+Na-2H]- 376.08362 179.0
[M]+ 355.10840 186.2
[M]- 355.10950 186.2
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.