CID 2826576

1-(2,5-dimethoxyphenyl)-3-(2-hydroxyethyl)thiourea

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
COC1=CC(=C(C=C1)OC)NC(=S)NCCO
InChI
InChI=1S/C11H16N2O3S/c1-15-8-3-4-10(16-2)9(7-8)13-11(17)12-5-6-14/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,17)
InChIKey
TUJNWPUNIVNOBI-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-(2-hydroxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.08817 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.095446 155.9
[M+Na]+ 279.077388 161.8
[M-H]- 255.080894 158.2
[M+NH4]+ 274.121993 172.3
[M+K]+ 295.051328 158.6
[M+H-H2O]+ 239.085430 149.0
[M+HCOO]- 301.086371 174.6
[M+CH3COO]- 315.102021 195.7
[M+Na-2H]- 277.062836 157.9
[M]+ 256.08762142 158.7
[M]- 256.08871858 158.7
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.