CID 667575

Scp-1

Structural Information

Molecular Formula
C15H12N2O5S
SMILES
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC=C(C=C3)O
InChI
InChI=1S/C15H12N2O5S/c18-11-7-5-10(6-8-11)16-14(19)9-17-15(20)12-3-1-2-4-13(12)23(17,21)22/h1-8,18H,9H2,(H,16,19)
InChIKey
PUPNJSIFIXXJCH-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

179
Patents

332.0467 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05398 171.9
[M+Na]+ 355.03592 182.8
[M+NH4]+ 350.08052 179.1
[M+K]+ 371.00986 176.0
[M-H]- 331.03942 173.4
[M+Na-2H]- 353.02137 177.9
[M]+ 332.04615 174.1
[M]- 332.04725 174.1
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