CID 781749

[(4-methoxybenzoyl)amino]thiourea

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
COC1=CC=C(C=C1)C(=O)NNC(=S)N
InChI
InChI=1S/C9H11N3O2S/c1-14-7-4-2-6(3-5-7)8(13)11-12-9(10)15/h2-5H,1H3,(H,11,13)(H3,10,12,15)
InChIKey
FMRFJSXJWQANHE-UHFFFAOYSA-N
Compound name
[(4-methoxybenzoyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

225.0572 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 147.9
[M+Na]+ 248.04642 153.6
[M-H]- 224.04992 151.1
[M+NH4]+ 243.09102 165.2
[M+K]+ 264.02036 150.7
[M+H-H2O]+ 208.05446 140.8
[M+HCOO]- 270.05540 168.0
[M+CH3COO]- 284.07105 192.8
[M+Na-2H]- 246.03187 150.1
[M]+ 225.05665 146.8
[M]- 225.05775 146.8
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.