CID 2731652

[(3,4,5-trimethoxybenzoyl)amino]thiourea

Structural Information

Molecular Formula
C11H15N3O4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)N
InChI
InChI=1S/C11H15N3O4S/c1-16-7-4-6(10(15)13-14-11(12)19)5-8(17-2)9(7)18-3/h4-5H,1-3H3,(H,13,15)(H3,12,14,19)
InChIKey
SMHFGWKCWJJQDZ-UHFFFAOYSA-N
Compound name
[(3,4,5-trimethoxybenzoyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.07834 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08562 162.4
[M+Na]+ 308.06756 168.4
[M-H]- 284.07106 165.8
[M+NH4]+ 303.11216 177.6
[M+K]+ 324.04150 166.4
[M+H-H2O]+ 268.07560 154.8
[M+HCOO]- 330.07654 182.1
[M+CH3COO]- 344.09219 205.8
[M+Na-2H]- 306.05301 162.6
[M]+ 285.07779 165.6
[M]- 285.07889 165.6
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

No patent data available for this compound.