CID 215367

35619-66-0

Structural Information

Molecular Formula
C14H19NO3S2
SMILES
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCSCC2
InChI
InChI=1S/C14H19NO3S2/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(19)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
NGUPHJMVCXCOCV-UHFFFAOYSA-N
Compound name
thiomorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.08063 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08791 167.7
[M+Na]+ 336.06985 173.6
[M-H]- 312.07335 172.0
[M+NH4]+ 331.11445 181.7
[M+K]+ 352.04379 169.4
[M+H-H2O]+ 296.07789 160.2
[M+HCOO]- 358.07883 175.6
[M+CH3COO]- 372.09448 202.7
[M+Na-2H]- 334.05530 165.5
[M]+ 313.08008 170.2
[M]- 313.08118 170.2
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.