CID 90481558

O-(1,1'-biphenyl)-4-yl phenylthiocarbamate

Structural Information

Molecular Formula
C19H15NOS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C19H15NOS/c22-19(20-17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H,20,22)
InChIKey
YXQZYTJSPHXOHR-UHFFFAOYSA-N
Compound name
O-(4-phenylphenyl) N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08743 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09471 169.3
[M+Na]+ 328.07665 185.1
[M+NH4]+ 323.12125 179.2
[M+K]+ 344.05059 173.5
[M-H]- 304.08015 177.7
[M+Na-2H]- 326.06210 181.9
[M]+ 305.08688 174.7
[M]- 305.08798 174.7
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.