CID 3005257

Nsc687315

Structural Information

Molecular Formula
C17H11NOS2
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CC=CS4
InChI
InChI=1S/C17H11NOS2/c20-17(16-6-3-9-21-16)18-11-7-8-13-12-4-1-2-5-14(12)19-15(13)10-11/h1-10H,(H,18,20)
InChIKey
GZQQAKFFXBGHQA-UHFFFAOYSA-N
Compound name
N-dibenzofuran-3-ylthiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0282 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03548 167.5
[M+Na]+ 332.01742 180.6
[M-H]- 308.02092 178.5
[M+NH4]+ 327.06202 188.1
[M+K]+ 347.99136 175.3
[M+H-H2O]+ 292.02546 163.7
[M+HCOO]- 354.02640 184.9
[M+CH3COO]- 368.04205 181.4
[M+Na-2H]- 330.00287 171.3
[M]+ 309.02765 174.9
[M]- 309.02875 174.9
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.