CID 117279

25783-56-6

Structural Information

Molecular Formula
C18H15NO5S
SMILES
C1CS(=O)(=O)CC1NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H15NO5S/c20-14-6-5-13(19-10-7-8-25(23,24)9-10)15-16(14)18(22)12-4-2-1-3-11(12)17(15)21/h1-6,10,19-20H,7-9H2
InChIKey
MYWBSKXMLIVHKW-UHFFFAOYSA-N
Compound name
1-[(1,1-dioxothiolan-3-yl)amino]-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0671 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07438 177.7
[M+Na]+ 380.05632 189.4
[M+NH4]+ 375.10092 186.6
[M+K]+ 396.03026 181.1
[M-H]- 356.05982 181.1
[M+Na-2H]- 378.04177 183.3
[M]+ 357.06655 180.7
[M]- 357.06765 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

patents stripe