CID 11235669

N-(2-chloro-5-methyl-phenyl)-5-(3,5-dichlorobenzothiophen-2-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C17H10Cl3N3S2
SMILES
CC1=CC(=C(C=C1)Cl)NC2=NN=C(S2)C3=C(C4=C(S3)C=CC(=C4)Cl)Cl
InChI
InChI=1S/C17H10Cl3N3S2/c1-8-2-4-11(19)12(6-8)21-17-23-22-16(25-17)15-14(20)10-7-9(18)3-5-13(10)24-15/h2-7H,1H3,(H,21,23)
InChIKey
ZSPYYLZUBKYOEZ-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-methylphenyl)-5-(3,5-dichloro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.93817 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.94545 193.1
[M+Na]+ 447.92739 208.1
[M-H]- 423.93089 201.8
[M+NH4]+ 442.97199 208.5
[M+K]+ 463.90133 199.5
[M+H-H2O]+ 407.93543 188.2
[M+HCOO]- 469.93637 194.1
[M+CH3COO]- 483.95202 203.8
[M+Na-2H]- 445.91284 189.9
[M]+ 424.93762 202.1
[M]- 424.93872 202.1
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.