CID 853891

1-(4-ethylphenyl)-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C15H16N2S
SMILES
CCC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2S/c1-2-12-8-10-14(11-9-12)17-15(18)16-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17,18)
InChIKey
FHWFHUXCOGYFHS-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

256.10342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.110696 157.3
[M+Na]+ 279.092638 163.3
[M-H]- 255.096144 163.8
[M+NH4]+ 274.137243 174.1
[M+K]+ 295.066578 157.8
[M+H-H2O]+ 239.100680 149.6
[M+HCOO]- 301.101621 177.4
[M+CH3COO]- 315.117271 198.3
[M+Na-2H]- 277.078086 161.1
[M]+ 256.10287142 156.5
[M]- 256.10396858 156.5
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