CID 3003382

Schembl6815872

Structural Information

Molecular Formula
C16H11Cl2N5OS2
SMILES
C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2N5OS2/c17-12-6-5-11(7-13(12)18)21-16(25)20-10-3-1-9(2-4-10)19-15(24)14-8-26-23-22-14/h1-8H,(H,19,24)(H2,20,21,25)
InChIKey
QGTJADPIIKKZJG-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dichlorophenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

422.9782 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.98548 188.8
[M+Na]+ 445.96742 197.4
[M-H]- 421.97092 196.0
[M+NH4]+ 441.01202 199.5
[M+K]+ 461.94136 188.5
[M+H-H2O]+ 405.97546 181.9
[M+HCOO]- 467.97640 193.8
[M+CH3COO]- 481.99205 197.5
[M+Na-2H]- 443.95287 189.1
[M]+ 422.97765 192.3
[M]- 422.97875 192.3
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