CID 3607236

(5-methoxy-2-methylphenyl)thiourea

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC1=C(C=C(C=C1)OC)NC(=S)N
InChI
InChI=1S/C9H12N2OS/c1-6-3-4-7(12-2)5-8(6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13)
InChIKey
BQMXLLVSWQWRLZ-UHFFFAOYSA-N
Compound name
(5-methoxy-2-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

196.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 141.0
[M+Na]+ 219.056248 148.6
[M-H]- 195.059754 144.6
[M+NH4]+ 214.100853 160.4
[M+K]+ 235.030188 145.3
[M+H-H2O]+ 179.064290 134.7
[M+HCOO]- 241.065231 160.7
[M+CH3COO]- 255.080881 187.9
[M+Na-2H]- 217.041696 143.0
[M]+ 196.06648142 141.2
[M]- 196.06757858 141.2
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