CID 509935

Schembl7481789

Structural Information

Molecular Formula
C14H10Cl2N4O2S
SMILES
C1=COC(=C1)CNC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N4O2S/c15-10-4-3-8(6-11(10)16)12(21)18-14-20-19-13(23-14)17-7-9-2-1-5-22-9/h1-6H,7H2,(H,17,19)(H,18,20,21)
InChIKey
DWDBDVFLGITCEM-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

367.99014 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99742 181.6
[M+Na]+ 390.97936 192.6
[M-H]- 366.98286 190.7
[M+NH4]+ 386.02396 195.1
[M+K]+ 406.95330 187.1
[M+H-H2O]+ 350.98740 174.3
[M+HCOO]- 412.98834 193.7
[M+CH3COO]- 427.00399 193.0
[M+Na-2H]- 388.96481 181.8
[M]+ 367.98959 189.5
[M]- 367.99069 189.5
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