CID 11384262

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

Structural Information

Molecular Formula
C17H11Cl2N3OS2
SMILES
COC1=CC=CC=C1NC2=NN=C(S2)C3=C(C4=C(S3)C=CC(=C4)Cl)Cl
InChI
InChI=1S/C17H11Cl2N3OS2/c1-23-12-5-3-2-4-11(12)20-17-22-21-16(25-17)15-14(19)10-8-9(18)6-7-13(10)24-15/h2-8H,1H3,(H,20,22)
InChIKey
ZYBDORQUCNJEFM-UHFFFAOYSA-N
Compound name
5-(3,5-dichloro-1-benzothiophen-2-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.97205 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.97933 188.7
[M+Na]+ 429.96127 203.3
[M-H]- 405.96477 198.5
[M+NH4]+ 425.00587 204.6
[M+K]+ 445.93521 195.2
[M+H-H2O]+ 389.96931 183.4
[M+HCOO]- 451.97025 195.5
[M+CH3COO]- 465.98590 200.4
[M+Na-2H]- 427.94672 187.6
[M]+ 406.97150 198.9
[M]- 406.97260 198.9
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.