CID 4614659

1-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-2-thiourea

Structural Information

Molecular Formula
C10H13ClN2O2S
SMILES
CNC(=S)NC1=CC(=C(C=C1OC)OC)Cl
InChI
InChI=1S/C10H13ClN2O2S/c1-12-10(16)13-7-4-6(11)8(14-2)5-9(7)15-3/h4-5H,1-3H3,(H2,12,13,16)
InChIKey
NELYZUPALKKDFK-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.03864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.045916 154.4
[M+Na]+ 283.027858 162.9
[M-H]- 259.031364 158.7
[M+NH4]+ 278.072463 172.6
[M+K]+ 299.001798 158.6
[M+H-H2O]+ 243.035900 149.1
[M+HCOO]- 305.036841 170.2
[M+CH3COO]- 319.052491 197.9
[M+Na-2H]- 281.013306 156.0
[M]+ 260.03809142 159.6
[M]- 260.03918858 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe