CID 3033195

3,4,5-trimethoxythiobenzamide

Structural Information

Molecular Formula
C10H13NO3S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=S)N
InChI
InChI=1S/C10H13NO3S/c1-12-7-4-6(10(11)15)5-8(13-2)9(7)14-3/h4-5H,1-3H3,(H2,11,15)
InChIKey
FCQGHVXXICVSIF-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

227.06161 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 147.3
[M+Na]+ 250.05083 155.8
[M-H]- 226.05433 151.2
[M+NH4]+ 245.09543 165.9
[M+K]+ 266.02477 153.6
[M+H-H2O]+ 210.05887 141.1
[M+HCOO]- 272.05981 166.3
[M+CH3COO]- 286.07546 191.9
[M+Na-2H]- 248.03628 148.0
[M]+ 227.06106 152.1
[M]- 227.06216 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe