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

7
Patents

270.11908 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12636 162.6
[M+Na]+ 293.10830 167.3
[M-H]- 269.11180 170.0
[M+NH4]+ 288.15290 179.1
[M+K]+ 309.08224 163.0
[M+H-H2O]+ 253.11634 154.2
[M+HCOO]- 315.11728 182.7
[M+CH3COO]- 329.13293 203.6
[M+Na-2H]- 291.09375 165.8
[M]+ 270.11853 162.9
[M]- 270.11963 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