CID 41027

54191-80-9

Structural Information

Molecular Formula
C16H17NS
SMILES
CN(C)C(=S)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H17NS/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKey
JMUXNFZSTDDNFY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,2-diphenylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.10817 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.115446 158.8
[M+Na]+ 278.097388 164.0
[M-H]- 254.100894 166.5
[M+NH4]+ 273.141993 176.2
[M+K]+ 294.071328 160.4
[M+H-H2O]+ 238.105430 151.0
[M+HCOO]- 300.106371 177.0
[M+CH3COO]- 314.122021 200.3
[M+Na-2H]- 276.082836 160.3
[M]+ 255.10762142 159.4
[M]- 255.10871858 159.4
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