CID 5105526

(3,4-dimethoxyphenyl)thiourea

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
COC1=C(C=C(C=C1)NC(=S)N)OC
InChI
InChI=1S/C9H12N2O2S/c1-12-7-4-3-6(11-9(10)14)5-8(7)13-2/h3-5H,1-2H3,(H3,10,11,14)
InChIKey
VMKQIIHXIOEFLH-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

212.06195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 144.2
[M+Na]+ 235.05117 151.6
[M-H]- 211.05467 147.8
[M+NH4]+ 230.09577 162.9
[M+K]+ 251.02511 148.9
[M+H-H2O]+ 195.05921 137.7
[M+HCOO]- 257.06015 164.2
[M+CH3COO]- 271.07580 190.0
[M+Na-2H]- 233.03662 146.4
[M]+ 212.06140 145.8
[M]- 212.06250 145.8
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