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 159.5
[M+Na]+ 318.05325 173.4
[M-H]- 294.05675 168.7
[M+NH4]+ 313.09785 175.8
[M+K]+ 334.02719 168.6
[M+H-H2O]+ 278.06129 150.7
[M+HCOO]- 340.06223 183.5
[M+CH3COO]- 354.07788 173.3
[M+Na-2H]- 316.03870 163.8
[M]+ 295.06348 166.2
[M]- 295.06458 166.2
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.