CID 3065035

4-((6-phenylimidazo(2,1-b)thiazol-3(2h)-ylidene)amino)benzenesulfonic acid

Structural Information

Molecular Formula
C17H13N3O3S2
SMILES
C1C(=NC2=CC=C(C=C2)S(=O)(=O)O)N3C=C(N=C3S1)C4=CC=CC=C4
InChI
InChI=1S/C17H13N3O3S2/c21-25(22,23)14-8-6-13(7-9-14)18-16-11-24-17-19-15(10-20(16)17)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,23)
InChIKey
KYUUGECNYHNRRF-UHFFFAOYSA-N
Compound name
4-[(6-phenylimidazo[2,1-b][1,3]thiazol-3-ylidene)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.03983 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04711 181.1
[M+Na]+ 394.02905 192.9
[M+NH4]+ 389.07365 188.6
[M+K]+ 410.00299 186.4
[M-H]- 370.03255 185.4
[M+Na-2H]- 392.01450 188.2
[M]+ 371.03928 184.8
[M]- 371.04038 184.8
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.