CID 668300

726-25-0

Structural Information

Molecular Formula
C14H14N2S
SMILES
C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
InChIKey
NXCBDDGSOXJEFZ-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

107
Patents

242.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09505 152.7
[M+Na]+ 265.07699 158.2
[M-H]- 241.08049 159.0
[M+NH4]+ 260.12159 169.7
[M+K]+ 281.05093 152.9
[M+H-H2O]+ 225.08503 145.0
[M+HCOO]- 287.08597 173.1
[M+CH3COO]- 301.10162 194.2
[M+Na-2H]- 263.06244 157.7
[M]+ 242.08722 151.1
[M]- 242.08832 151.1
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

No patent data available for this compound.