CID 116302

64039-00-5

Structural Information

Molecular Formula
C15H21NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)CC(=S)N2CCOCC2
InChI
InChI=1S/C15H21NO4S/c1-17-12-8-11(9-13(18-2)15(12)19-3)10-14(21)16-4-6-20-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKey
GFYDCJTVZXIHOM-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)ethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12642 171.1
[M+Na]+ 334.10836 176.8
[M-H]- 310.11186 176.6
[M+NH4]+ 329.15296 183.7
[M+K]+ 350.08230 175.4
[M+H-H2O]+ 294.11640 162.9
[M+HCOO]- 356.11734 183.7
[M+CH3COO]- 370.13299 203.5
[M+Na-2H]- 332.09381 170.7
[M]+ 311.11859 175.0
[M]- 311.11969 175.0
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.