CID 11463884

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

Structural Information

Molecular Formula
C18H13Cl2N3S2
SMILES
CC1=C(C(=CC=C1)NC2=NN=C(S2)C3=C(C4=C(S3)C=CC(=C4)Cl)Cl)C
InChI
InChI=1S/C18H13Cl2N3S2/c1-9-4-3-5-13(10(9)2)21-18-23-22-17(25-18)16-15(20)12-8-11(19)6-7-14(12)24-16/h3-8H,1-2H3,(H,21,23)
InChIKey
INIKWVPSNMCQRE-UHFFFAOYSA-N
Compound name
5-(3,5-dichloro-1-benzothiophen-2-yl)-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.9928 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.00008 190.8
[M+Na]+ 427.98202 206.0
[M-H]- 403.98552 200.7
[M+NH4]+ 423.02662 207.1
[M+K]+ 443.95596 197.0
[M+H-H2O]+ 387.99006 185.6
[M+HCOO]- 449.99100 196.9
[M+CH3COO]- 464.00665 202.5
[M+Na-2H]- 425.96747 188.2
[M]+ 404.99225 200.4
[M]- 404.99335 200.4
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.