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]+ 306.094706 169.9
[M+Na]+ 328.076648 176.3
[M-H]- 304.080154 179.3
[M+NH4]+ 323.121253 184.4
[M+K]+ 344.050588 170.0
[M+H-H2O]+ 288.084690 161.1
[M+HCOO]- 350.085631 189.4
[M+CH3COO]- 364.101281 181.0
[M+Na-2H]- 326.062096 173.8
[M]+ 305.08688142 169.9
[M]- 305.08797858 169.9
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

No patent data available for this compound.