CID 112870

62591-95-1

Structural Information

Molecular Formula
C20H13NO3S
SMILES
C1=CC=C(C=C1)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H13NO3S/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2
InChIKey
KBLRWVXBAOMMNQ-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-phenylsulfanylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

347.0616 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06888 177.2
[M+Na]+ 370.05082 193.1
[M+NH4]+ 365.09542 186.4
[M+K]+ 386.02476 182.5
[M-H]- 346.05432 183.4
[M+Na-2H]- 368.03627 184.8
[M]+ 347.06105 181.9
[M]- 347.06215 181.9
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