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

50
Patents

196.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 141.0
[M+Na]+ 219.05625 148.6
[M-H]- 195.05975 144.6
[M+NH4]+ 214.10085 160.4
[M+K]+ 235.03019 145.3
[M+H-H2O]+ 179.06429 134.7
[M+HCOO]- 241.06523 160.7
[M+CH3COO]- 255.08088 187.9
[M+Na-2H]- 217.04170 143.0
[M]+ 196.06648 141.2
[M]- 196.06758 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