CID 22864

6374-73-8

Structural Information

Molecular Formula
C14H9NO2S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N)S
InChI
InChI=1S/C14H9NO2S/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,18H,15H2
InChIKey
CYZMGNABIKQJTM-UHFFFAOYSA-N
Compound name
2-amino-1-sulfanylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.0354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04268 151.1
[M+Na]+ 278.02462 162.2
[M-H]- 254.02812 156.9
[M+NH4]+ 273.06922 170.9
[M+K]+ 293.99856 156.8
[M+H-H2O]+ 238.03266 145.1
[M+HCOO]- 300.03360 168.1
[M+CH3COO]- 314.04925 164.2
[M+Na-2H]- 276.01007 155.8
[M]+ 255.03485 153.1
[M]- 255.03595 153.1
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