CID 3561753

1-benzyl-1-ethyl-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C16H18N2S
SMILES
CCN(CC1=CC=CC=C1)C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N2S/c1-2-18(13-14-9-5-3-6-10-14)16(19)17-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
InChIKey
CIQFTOMAXKXLJP-UHFFFAOYSA-N
Compound name
1-benzyl-1-ethyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.11908 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.126356 162.6
[M+Na]+ 293.108298 167.3
[M-H]- 269.111804 170.0
[M+NH4]+ 288.152903 179.1
[M+K]+ 309.082238 163.0
[M+H-H2O]+ 253.116340 154.2
[M+HCOO]- 315.117281 182.7
[M+CH3COO]- 329.132931 203.6
[M+Na-2H]- 291.093746 165.8
[M]+ 270.11853142 162.9
[M]- 270.11962858 162.9
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