CID 11061

Thiphenamil hydrochloride

Structural Information

Molecular Formula
C20H25NOS
SMILES
CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H25NOS/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey
WHLUQAYNVOGZST-UHFFFAOYSA-N
Compound name
S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

3211
Patents

327.16568 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17296 180.8
[M+Na]+ 350.15490 184.0
[M-H]- 326.15840 187.5
[M+NH4]+ 345.19950 195.0
[M+K]+ 366.12884 179.9
[M+H-H2O]+ 310.16294 171.8
[M+HCOO]- 372.16388 197.8
[M+CH3COO]- 386.17953 214.0
[M+Na-2H]- 348.14035 180.2
[M]+ 327.16513 184.0
[M]- 327.16623 184.0
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