CID 3056359

Carbamic acid, n,n-diphenylthio-, benzyl ester

Structural Information

Molecular Formula
C20H17NOS
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2N(C3=CC=CC=C3)C(=O)S
InChI
InChI=1S/C20H17NOS/c22-20(23)21(18-12-5-2-6-13-18)19-14-8-7-11-17(19)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23)
InChIKey
JFGYKLOYDWYLGH-UHFFFAOYSA-N
Compound name
(2-benzylphenyl)-phenylcarbamothioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1031 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11038 172.9
[M+Na]+ 342.09232 188.6
[M+NH4]+ 337.13692 182.9
[M+K]+ 358.06626 177.4
[M-H]- 318.09582 181.5
[M+Na-2H]- 340.07777 185.6
[M]+ 319.10255 178.4
[M]- 319.10365 178.4
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.