CID 340374

100363-24-4

Structural Information

Molecular Formula
C14H13NS
SMILES
CC(=S)N(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H13NS/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey
OCNLQPFWJFXVDA-UHFFFAOYSA-N
Compound name
N,N-diphenylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

227.07687 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08415 149.7
[M+Na]+ 250.06609 156.2
[M-H]- 226.06959 157.7
[M+NH4]+ 245.11069 168.3
[M+K]+ 266.04003 152.4
[M+H-H2O]+ 210.07413 142.2
[M+HCOO]- 272.07507 169.6
[M+CH3COO]- 286.09072 193.5
[M+Na-2H]- 248.05154 153.3
[M]+ 227.07632 150.2
[M]- 227.07742 150.2
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