CID 469565

Dibenzothiophene-3,7-dicarboxamidine

Structural Information

Molecular Formula
C14H12N4S
SMILES
C1=CC2=C(C=C1C(=N)N)SC3=C2C=CC(=C3)C(=N)N
InChI
InChI=1S/C14H12N4S/c15-13(16)7-1-3-9-10-4-2-8(14(17)18)6-12(10)19-11(9)5-7/h1-6H,(H3,15,16)(H3,17,18)
InChIKey
OLROPOTYAHDXGN-UHFFFAOYSA-N
Compound name
dibenzothiophene-3,7-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
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

literature stripe

Patent stripe

patents stripe