CID 136086465

3-methyl-2-((6-phenylimidazo(2,1-b)thiazol-5-yl)azo)thiazolium tetrachlorozincate

Structural Information

Molecular Formula
C15H12N5S2
SMILES
C[N+]1=C(SC=C1)/N=N/C2=C(N=C3N2C=CS3)C4=CC=CC=C4
InChI
InChI=1S/C15H12N5S2/c1-19-7-9-22-15(19)18-17-13-12(11-5-3-2-4-6-11)16-14-20(13)8-10-21-14/h2-10H,1H3/q+1
InChIKey
HQLCHQZKYMLFKD-UHFFFAOYSA-N
Compound name
(E)-(3-methyl-1,3-thiazol-3-ium-2-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

326.0534 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06068 170.3
[M+Na]+ 349.04262 185.2
[M-H]- 325.04612 183.4
[M+NH4]+ 344.08722 189.3
[M+K]+ 365.01656 175.0
[M+H-H2O]+ 309.05066 166.2
[M+HCOO]- 371.05160 192.1
[M+CH3COO]- 385.06725 184.6
[M+Na-2H]- 347.02807 174.4
[M]+ 326.05285 178.3
[M]- 326.05395 178.3
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.