CID 11417940

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

Structural Information

Molecular Formula
C17H11Cl2N3S2
SMILES
CC1=CC=C(C=C1)NC2=NN=C(S2)C3=C(C4=C(S3)C=CC(=C4)Cl)Cl
InChI
InChI=1S/C17H11Cl2N3S2/c1-9-2-5-11(6-3-9)20-17-22-21-16(24-17)15-14(19)12-8-10(18)4-7-13(12)23-15/h2-8H,1H3,(H,20,22)
InChIKey
SGPGKLIUIBROSI-UHFFFAOYSA-N
Compound name
5-(3,5-dichloro-1-benzothiophen-2-yl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.97714 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.98442 186.0
[M+Na]+ 413.96636 200.9
[M-H]- 389.96986 195.7
[M+NH4]+ 409.01096 202.6
[M+K]+ 429.94030 192.2
[M+H-H2O]+ 373.97440 180.7
[M+HCOO]- 435.97534 192.5
[M+CH3COO]- 449.99099 197.9
[M+Na-2H]- 411.95181 184.5
[M]+ 390.97659 194.9
[M]- 390.97769 194.9
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.