CID 9574860

N2',n8'-dihydroxydibenzothiophene-2,8-dicarboxamidine

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
C1=CC2=C(C3=C(S2)C=CC(=C3)/C(=N/O)/N)C=C1/C(=N/O)/N
InChI
InChI=1S/C14H12N4O2S/c15-13(17-19)7-1-3-11-9(5-7)10-6-8(14(16)18-20)2-4-12(10)21-11/h1-6,19-20H,(H2,15,17)(H2,16,18)
InChIKey
JAUROMUOOZTIGT-UHFFFAOYSA-N
Compound name
2-N',8-N'-dihydroxydibenzothiophene-2,8-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07536 160.8
[M+Na]+ 323.05730 168.9
[M-H]- 299.06080 166.0
[M+NH4]+ 318.10190 178.7
[M+K]+ 339.03124 164.3
[M+H-H2O]+ 283.06534 154.4
[M+HCOO]- 345.06628 181.7
[M+CH3COO]- 359.08193 172.3
[M+Na-2H]- 321.04275 165.5
[M]+ 300.06753 161.5
[M]- 300.06863 161.5
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

No patent data available for this compound.