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

2734
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 170.5
[M+Na]+ 355.03592 180.4
[M-H]- 331.03942 176.5
[M+NH4]+ 350.08052 187.3
[M+K]+ 371.00986 175.8
[M+H-H2O]+ 315.04396 164.3
[M+HCOO]- 377.04490 187.5
[M+CH3COO]- 391.06055 204.0
[M+Na-2H]- 353.02137 173.7
[M]+ 332.04615 174.4
[M]- 332.04725 174.4
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.