CID 113039

63133-95-9

Structural Information

Molecular Formula
C15H14N7S
SMILES
CN1C(=NC=[N+]1C)N=NC2=C(N=C3N2C=CS3)C4=CC=CC=C4
InChI
InChI=1S/C15H14N7S/c1-20-10-16-14(21(20)2)19-18-13-12(11-6-4-3-5-7-11)17-15-22(13)8-9-23-15/h3-10H,1-2H3/q+1
InChIKey
ZHTSMAHIAVNQQE-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.10315 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11043 171.6
[M+Na]+ 347.09237 185.9
[M-H]- 323.09587 182.6
[M+NH4]+ 342.13697 187.4
[M+K]+ 363.06631 176.0
[M+H-H2O]+ 307.10041 164.9
[M+HCOO]- 369.10135 195.6
[M+CH3COO]- 383.11700 185.2
[M+Na-2H]- 345.07782 176.4
[M]+ 324.10260 179.5
[M]- 324.10370 179.5
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.