CID 2734828

2,2-diphenylthioacetamide

Structural Information

Molecular Formula
C14H13NS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=S)N
InChI
InChI=1S/C14H13NS/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,15,16)
InChIKey
QMAWTTMRRXVHNI-UHFFFAOYSA-N
Compound name
2,2-diphenylethanethioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

227.07687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08415 149.9
[M+Na]+ 250.06609 155.9
[M-H]- 226.06959 155.9
[M+NH4]+ 245.11069 167.5
[M+K]+ 266.04003 150.9
[M+H-H2O]+ 210.07413 142.8
[M+HCOO]- 272.07507 167.7
[M+CH3COO]- 286.09072 190.9
[M+Na-2H]- 248.05154 152.2
[M]+ 227.07632 147.7
[M]- 227.07742 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe