CID 22925703

443965-79-5

Structural Information

Molecular Formula
C14H13NO3S
SMILES
C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H13NO3S/c16-11-3-1-10(2-4-11)15-14(18)9-19-13-7-5-12(17)6-8-13/h1-8,16-17H,9H2,(H,15,18)
InChIKey
DDEIFJIULQQIBS-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

275.0616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06888 159.6
[M+Na]+ 298.05082 166.1
[M-H]- 274.05432 163.8
[M+NH4]+ 293.09542 174.4
[M+K]+ 314.02476 160.9
[M+H-H2O]+ 258.05886 152.5
[M+HCOO]- 320.05980 176.6
[M+CH3COO]- 334.07545 193.6
[M+Na-2H]- 296.03627 162.0
[M]+ 275.06105 160.1
[M]- 275.06215 160.1
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

patents stripe