CID 1810978

1-(2,4-dimethylphenyl)-3-(2-hydroxyethyl)thiourea

Structural Information

Molecular Formula
C11H16N2OS
SMILES
CC1=CC(=C(C=C1)NC(=S)NCCO)C
InChI
InChI=1S/C11H16N2OS/c1-8-3-4-10(9(2)7-8)13-11(15)12-5-6-14/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,15)
InChIKey
PRXUWVKXOYGADQ-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3-(2-hydroxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

224.09833 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10561 150.9
[M+Na]+ 247.08755 160.6
[M+NH4]+ 242.13215 158.7
[M+K]+ 263.06149 152.8
[M-H]- 223.09105 153.4
[M+Na-2H]- 245.07300 155.7
[M]+ 224.09778 153.2
[M]- 224.09888 153.2
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