CID 703575

N-(4-acetylphenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

Structural Information

Molecular Formula
C17H14N2O3S
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C17H14N2O3S/c1-11(20)12-6-8-13(9-7-12)18-16(21)10-23-17-19-14-4-2-3-5-15(14)22-17/h2-9H,10H2,1H3,(H,18,21)
InChIKey
IKDMFKLZUZXPCG-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

326.0725 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07978 174.5
[M+Na]+ 349.06172 183.4
[M-H]- 325.06522 182.3
[M+NH4]+ 344.10632 188.9
[M+K]+ 365.03566 179.8
[M+H-H2O]+ 309.06976 166.9
[M+HCOO]- 371.07070 192.8
[M+CH3COO]- 385.08635 186.2
[M+Na-2H]- 347.04717 177.4
[M]+ 326.07195 180.7
[M]- 326.07305 180.7
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.