CID 463752

Dibenzothiophene-2,8-dicarboxamidine

Structural Information

Molecular Formula
C14H12N4S
SMILES
C1=CC2=C(C=C1C(=N)N)C3=C(S2)C=CC(=C3)C(=N)N
InChI
InChI=1S/C14H12N4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6H,(H3,15,16)(H3,17,18)
InChIKey
ONZHFOGURIQGKM-UHFFFAOYSA-N
Compound name
dibenzothiophene-2,8-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

136
Patents

268.07828 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08556 154.5
[M+Na]+ 291.06750 163.1
[M-H]- 267.07100 159.8
[M+NH4]+ 286.11210 173.9
[M+K]+ 307.04144 157.1
[M+H-H2O]+ 251.07554 148.6
[M+HCOO]- 313.07648 175.0
[M+CH3COO]- 327.09213 166.5
[M+Na-2H]- 289.05295 158.8
[M]+ 268.07773 152.7
[M]- 268.07883 152.7
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

No patent data available for this compound.