CID 378724

Nsc661826

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
C1=CC2=C(C=C1O)C(=C3C=C(C=CC3=N2)O)SCC(=O)N
InChI
InChI=1S/C15H12N2O3S/c16-14(20)7-21-15-10-5-8(18)1-3-12(10)17-13-4-2-9(19)6-11(13)15/h1-6,18-19H,7H2,(H2,16,20)
InChIKey
QOYBWWRICBLLBD-UHFFFAOYSA-N
Compound name
2-(2,7-dihydroxyacridin-9-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.05685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 162.9
[M+Na]+ 323.04607 172.9
[M-H]- 299.04957 164.6
[M+NH4]+ 318.09067 177.8
[M+K]+ 339.02001 166.8
[M+H-H2O]+ 283.05411 156.2
[M+HCOO]- 345.05505 177.1
[M+CH3COO]- 359.07070 173.8
[M+Na-2H]- 321.03152 168.1
[M]+ 300.05630 166.1
[M]- 300.05740 166.1
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

No patent data available for this compound.