CID 853980

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

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CNC(=S)NC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C10H14N2O2S/c1-11-10(15)12-8-6-7(13-2)4-5-9(8)14-3/h4-6H,1-3H3,(H2,11,12,15)
InChIKey
JVBGNPPYXIWVPH-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

226.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.6
[M+Na]+ 249.06682 155.6
[M-H]- 225.07032 152.5
[M+NH4]+ 244.11142 167.0
[M+K]+ 265.04076 153.0
[M+H-H2O]+ 209.07486 141.8
[M+HCOO]- 271.07580 168.9
[M+CH3COO]- 285.09145 192.9
[M+Na-2H]- 247.05227 151.2
[M]+ 226.07705 151.4
[M]- 226.07815 151.4
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