CID 3002013

1-(4-ethoxyphenyl)-3-(4-phenylphenyl)thiourea

Structural Information

Molecular Formula
C21H20N2OS
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20N2OS/c1-2-24-20-14-12-19(13-15-20)23-21(25)22-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H2,22,23,25)
InChIKey
QVBREBDVUDTQJZ-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-(4-phenylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.12964 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13692 181.7
[M+Na]+ 371.11886 187.1
[M-H]- 347.12236 190.9
[M+NH4]+ 366.16346 194.2
[M+K]+ 387.09280 180.3
[M+H-H2O]+ 331.12690 172.2
[M+HCOO]- 393.12784 201.3
[M+CH3COO]- 407.14349 191.6
[M+Na-2H]- 369.10431 184.6
[M]+ 348.12909 182.0
[M]- 348.13019 182.0
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

No patent data available for this compound.