CID 723631

N-methyl-n-phenylthiourea

Structural Information

Molecular Formula
C8H10N2S
SMILES
CN(C1=CC=CC=C1)C(=S)N
InChI
InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKey
MCWZNJNWGQPUGL-UHFFFAOYSA-N
Compound name
1-methyl-1-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

115
Patents

166.05647 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 134.2
[M+Na]+ 189.04569 144.7
[M+NH4]+ 184.09029 143.5
[M+K]+ 205.01963 137.2
[M-H]- 165.04919 138.0
[M+Na-2H]- 187.03114 141.1
[M]+ 166.05592 137.1
[M]- 166.05702 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe