CID 17569371

940266-84-2

Structural Information

Molecular Formula
C15H14N8S2
SMILES
CCC1=CC=CC(=C1NC2=NN=C(S2)SC3=NN4C(=NN=N4)C=C3)C
InChI
InChI=1S/C15H14N8S2/c1-3-10-6-4-5-9(2)13(10)16-14-18-19-15(25-14)24-12-8-7-11-17-21-22-23(11)20-12/h4-8H,3H2,1-2H3,(H,16,18)
InChIKey
YBADQMIXAXWCGE-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.07828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08556 178.2
[M+Na]+ 393.06750 193.4
[M-H]- 369.07100 182.8
[M+NH4]+ 388.11210 187.8
[M+K]+ 409.04144 185.0
[M+H-H2O]+ 353.07554 170.5
[M+HCOO]- 415.07648 189.2
[M+CH3COO]- 429.09213 188.8
[M+Na-2H]- 391.05295 178.9
[M]+ 370.07773 185.1
[M]- 370.07883 185.1
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

patents stripe