CID 478669

3-thia-4a,10-diaza-cyclopenta[b]fluorene-4,9-dione

Structural Information

Molecular Formula
C13H6N2O2S
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=C(C(=O)N23)SC=C4
InChI
InChI=1S/C13H6N2O2S/c16-10-7-3-1-2-4-9(7)15-12(10)14-8-5-6-18-11(8)13(15)17/h1-6H
InChIKey
PCBPTVDOQIDJBY-UHFFFAOYSA-N
Compound name
14-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaene-8,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02228 152.6
[M+Na]+ 277.00422 168.2
[M-H]- 253.00772 159.0
[M+NH4]+ 272.04882 175.4
[M+K]+ 292.97816 162.9
[M+H-H2O]+ 237.01226 147.6
[M+HCOO]- 299.01320 171.9
[M+CH3COO]- 313.02885 167.5
[M+Na-2H]- 274.98967 157.4
[M]+ 254.01445 160.5
[M]- 254.01555 160.5
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.