CID 3005417

Nsc698579

Structural Information

Molecular Formula
C18H12N2OS
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CN=CC=C4
InChI
InChI=1S/C18H12N2OS/c22-18(12-4-3-9-19-11-12)20-13-7-8-15-14-5-1-2-6-16(14)21-17(15)10-13/h1-11H,(H,20,22)
InChIKey
MQCJNPKFWQIEQK-UHFFFAOYSA-N
Compound name
N-dibenzofuran-3-ylpyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06705 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07433 166.5
[M+Na]+ 327.05627 177.2
[M-H]- 303.05977 175.3
[M+NH4]+ 322.10087 183.2
[M+K]+ 343.03021 171.8
[M+H-H2O]+ 287.06431 159.3
[M+HCOO]- 349.06525 185.0
[M+CH3COO]- 363.08090 179.1
[M+Na-2H]- 325.04172 172.9
[M]+ 304.06650 170.7
[M]- 304.06760 170.7
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.