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

literature stripe

Patent stripe

patents stripe