CID 365383

Nsc632996

Structural Information

Molecular Formula
C14H13NOS
SMILES
CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C14H13NOS/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
InChIKey
UYBXGTHDRYRWFD-UHFFFAOYSA-N
Compound name
N-(2-phenylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

243.0718 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07908 152.9
[M+Na]+ 266.06102 160.0
[M-H]- 242.06452 159.8
[M+NH4]+ 261.10562 170.5
[M+K]+ 282.03496 155.4
[M+H-H2O]+ 226.06906 145.6
[M+HCOO]- 288.07000 172.6
[M+CH3COO]- 302.08565 193.1
[M+Na-2H]- 264.04647 156.6
[M]+ 243.07125 153.9
[M]- 243.07235 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.