CID 9843414

Schembl6816865

Structural Information

Molecular Formula
C15H11ClN6OS2
SMILES
C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CN=C3)Cl
InChI
InChI=1S/C15H11ClN6OS2/c16-9-5-12(7-17-6-9)20-15(24)19-11-3-1-10(2-4-11)18-14(23)13-8-25-22-21-13/h1-8H,(H,18,23)(H2,19,20,24)
InChIKey
NVVFQURTNHHIRT-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloropyridin-3-yl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

390.01242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.01970 181.0
[M+Na]+ 413.00164 189.3
[M-H]- 389.00514 187.4
[M+NH4]+ 408.04624 190.9
[M+K]+ 428.97558 181.0
[M+H-H2O]+ 373.00968 172.8
[M+HCOO]- 435.01062 190.1
[M+CH3COO]- 449.02627 190.0
[M+Na-2H]- 410.98709 183.2
[M]+ 390.01187 183.0
[M]- 390.01297 183.0
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

patents stripe