CID 11315910

N-(3-chlorophenyl)-5-(3,5-dichlorobenzothiophen-2-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C16H8Cl3N3S2
SMILES
C1=CC(=CC(=C1)Cl)NC2=NN=C(S2)C3=C(C4=C(S3)C=CC(=C4)Cl)Cl
InChI
InChI=1S/C16H8Cl3N3S2/c17-8-2-1-3-10(6-8)20-16-22-21-15(24-16)14-13(19)11-7-9(18)4-5-12(11)23-14/h1-7H,(H,20,22)
InChIKey
HEULXWDDFITHSZ-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-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

410.92252 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.92980 188.2
[M+Na]+ 433.91174 203.0
[M-H]- 409.91524 196.8
[M+NH4]+ 428.95634 204.0
[M+K]+ 449.88568 194.6
[M+H-H2O]+ 393.91978 183.3
[M+HCOO]- 455.92072 189.7
[M+CH3COO]- 469.93637 199.2
[M+Na-2H]- 431.89719 186.2
[M]+ 410.92197 196.6
[M]- 410.92307 196.6
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.