CID 11360932

5-(3,5-dichlorobenzothiophen-2-yl)-n-phenyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C16H9Cl2N3S2
SMILES
C1=CC=C(C=C1)NC2=NN=C(S2)C3=C(C4=C(S3)C=CC(=C4)Cl)Cl
InChI
InChI=1S/C16H9Cl2N3S2/c17-9-6-7-12-11(8-9)13(18)14(22-12)15-20-21-16(23-15)19-10-4-2-1-3-5-10/h1-8H,(H,19,21)
InChIKey
JGMJJWTUBGHHRX-UHFFFAOYSA-N
Compound name
5-(3,5-dichloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.9615 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.96878 181.0
[M+Na]+ 399.95072 195.8
[M-H]- 375.95422 190.6
[M+NH4]+ 394.99532 198.0
[M+K]+ 415.92466 187.2
[M+H-H2O]+ 359.95876 175.7
[M+HCOO]- 421.95970 188.0
[M+CH3COO]- 435.97535 193.1
[M+Na-2H]- 397.93617 180.7
[M]+ 376.96095 189.2
[M]- 376.96205 189.2
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.