CID 854305

Schembl5454920

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
COC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC=C2)OC
InChI
InChI=1S/C16H18N2O2S/c1-19-14-9-8-12(10-15(14)20-2)11-17-16(21)18-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,21)
InChIKey
HZCXHDAACDHHKN-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.1089 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 169.5
[M+Na]+ 325.09812 181.3
[M+NH4]+ 320.14272 177.5
[M+K]+ 341.07206 172.1
[M-H]- 301.10162 174.8
[M+Na-2H]- 323.08357 177.6
[M]+ 302.10835 173.1
[M]- 302.10945 173.1
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