CID 135554548

127227-37-6

Structural Information

Molecular Formula
C23H18N6O2S2
SMILES
CC1=NC(=C(N1C2=NN=C(S2)SC(=O)CNC3=CC=CC=C3)O)/C=C/4\C=NC5=CC=CC=C54
InChI
InChI=1S/C23H18N6O2S2/c1-14-26-19(11-15-12-25-18-10-6-5-9-17(15)18)21(31)29(14)22-27-28-23(33-22)32-20(30)13-24-16-7-3-2-4-8-16/h2-12,24,31H,13H2,1H3/b15-11+
InChIKey
LZTUEMZMDAHPSD-RVDMUPIBSA-N
Compound name
S-[5-[5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-anilinoethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.09326 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.10054 204.5
[M+Na]+ 497.08248 218.1
[M+NH4]+ 492.12708 210.3
[M+K]+ 513.05642 212.9
[M-H]- 473.08598 209.7
[M+Na-2H]- 495.06793 212.2
[M]+ 474.09271 208.7
[M]- 474.09381 208.7
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.