CID 3712362

127142-30-7

Structural Information

Molecular Formula
C15H13ClN6S
SMILES
CC(=NNC1=NN=C(S1)NC2=CC=CC=C2Cl)C3=CC=CC=N3
InChI
InChI=1S/C15H13ClN6S/c1-10(12-7-4-5-9-17-12)19-21-15-22-20-14(23-15)18-13-8-3-2-6-11(13)16/h2-9H,1H3,(H,18,20)(H,21,22)
InChIKey
LFQYVEKIPOWWHT-UHFFFAOYSA-N
Compound name
5-N-(2-chlorophenyl)-2-N-(1-pyridin-2-ylethylideneamino)-1,3,4-thiadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

344.0611 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06838 174.7
[M+Na]+ 367.05032 188.1
[M+NH4]+ 362.09492 182.5
[M+K]+ 383.02426 180.0
[M-H]- 343.05382 181.2
[M+Na-2H]- 365.03577 185.3
[M]+ 344.06055 179.0
[M]- 344.06165 179.0
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.