CID 853569

4-ethoxyphenylthiourea

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CCOC1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)
InChIKey
QGLYTNIXHPCRCF-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

98
Patents

196.06703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 141.0
[M+Na]+ 219.056248 147.8
[M-H]- 195.059754 144.3
[M+NH4]+ 214.100853 160.1
[M+K]+ 235.030188 144.5
[M+H-H2O]+ 179.064290 134.6
[M+HCOO]- 241.065231 160.9
[M+CH3COO]- 255.080881 186.7
[M+Na-2H]- 217.041696 143.8
[M]+ 196.06648142 140.9
[M]- 196.06757858 140.9
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