CID 686508

1-(2,6-dimethylphenyl)-3-phenylthiourea

Structural Information

Molecular Formula
C15H16N2S
SMILES
CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2S/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
FXEJNAAFZARADY-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

256.10342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11070 158.6
[M+Na]+ 279.09264 171.6
[M+NH4]+ 274.13724 168.0
[M+K]+ 295.06658 161.5
[M-H]- 255.09614 164.9
[M+Na-2H]- 277.07809 167.9
[M]+ 256.10287 162.8
[M]- 256.10397 162.8
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