CID 3065036

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

Structural Information

Molecular Formula
C18H13N3O2S
SMILES
C1C(=NC2=CC=C(C=C2)C(=O)O)N3C=C(N=C3S1)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O2S/c22-17(23)13-6-8-14(9-7-13)19-16-11-24-18-20-15(10-21(16)18)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,23)
InChIKey
LXDQMWNOLVHEDS-UHFFFAOYSA-N
Compound name
4-[(6-phenylimidazo[2,1-b][1,3]thiazol-3-ylidene)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07285 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08013 176.5
[M+Na]+ 358.06207 185.7
[M-H]- 334.06557 185.9
[M+NH4]+ 353.10667 192.4
[M+K]+ 374.03601 180.3
[M+H-H2O]+ 318.07011 168.8
[M+HCOO]- 380.07105 194.6
[M+CH3COO]- 394.08670 188.0
[M+Na-2H]- 356.04752 176.4
[M]+ 335.07230 178.7
[M]- 335.07340 178.7
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.