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 174.8
[M+Na]+ 342.09232 180.7
[M-H]- 318.09582 185.4
[M+NH4]+ 337.13692 189.2
[M+K]+ 358.06626 175.6
[M+H-H2O]+ 302.10036 165.5
[M+HCOO]- 364.10130 194.3
[M+CH3COO]- 378.11695 185.9
[M+Na-2H]- 340.07777 177.4
[M]+ 319.10255 176.4
[M]- 319.10365 176.4
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.