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

7
Patents

260.03864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04592 154.4
[M+Na]+ 283.02786 162.9
[M-H]- 259.03136 158.7
[M+NH4]+ 278.07246 172.6
[M+K]+ 299.00180 158.6
[M+H-H2O]+ 243.03590 149.1
[M+HCOO]- 305.03684 170.2
[M+CH3COO]- 319.05249 197.9
[M+Na-2H]- 281.01331 156.0
[M]+ 260.03809 159.6
[M]- 260.03919 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