CID 3005899

4'-isopropylthiobenzanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.10817 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11545 158.2
[M+Na]+ 278.09739 164.2
[M-H]- 254.10089 164.8
[M+NH4]+ 273.14199 175.3
[M+K]+ 294.07133 159.2
[M+H-H2O]+ 238.10543 150.9
[M+HCOO]- 300.10637 175.9
[M+CH3COO]- 314.12202 197.9
[M+Na-2H]- 276.08284 159.8
[M]+ 255.10762 158.0
[M]- 255.10872 158.0
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

No patent data available for this compound.