CID 509393

Schembl7482435

Structural Information

Molecular Formula
C14H10Cl2N4OS2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)NCC3=CC=CS3)Cl
InChI
InChI=1S/C14H10Cl2N4OS2/c15-9-4-1-5-10(16)11(9)12(21)18-14-20-19-13(23-14)17-7-8-3-2-6-22-8/h1-6H,7H2,(H,17,19)(H,18,20,21)
InChIKey
ZWGJNSJSPSLDAF-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(thiophen-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

383.96732 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.97460 182.3
[M+Na]+ 406.95654 193.9
[M-H]- 382.96004 190.9
[M+NH4]+ 402.00114 197.1
[M+K]+ 422.93048 186.1
[M+H-H2O]+ 366.96458 176.2
[M+HCOO]- 428.96552 190.0
[M+CH3COO]- 442.98117 193.2
[M+Na-2H]- 404.94199 180.9
[M]+ 383.96677 189.3
[M]- 383.96787 189.3
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