CID 94034

58376-56-0

Structural Information

Molecular Formula
C13H9N7S
SMILES
C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)N=NC4=NC=NN4
InChI
InChI=1S/C13H9N7S/c1-2-4-9(5-3-1)10-11(17-19-12-14-8-15-18-12)20-6-7-21-13(20)16-10/h1-8H,(H,14,15,18)
InChIKey
KWYGHTVPTLUSQZ-UHFFFAOYSA-N
Compound name
(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-(1H-1,2,4-triazol-5-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06403 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07131 158.5
[M+Na]+ 318.05325 172.7
[M+NH4]+ 313.09785 166.3
[M+K]+ 334.02719 169.5
[M-H]- 294.05675 163.4
[M+Na-2H]- 316.03870 169.0
[M]+ 295.06348 162.3
[M]- 295.06458 162.3
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.