CID 135554544

127227-42-3

Structural Information

Molecular Formula
C24H20N6O3S2
SMILES
CC1=NC(=C(N1C2=NN=C(S2)SC(=O)CNC3=CC=C(C=C3)OC)O)/C=C/4\C=NC5=CC=CC=C54
InChI
InChI=1S/C24H20N6O3S2/c1-14-27-20(11-15-12-26-19-6-4-3-5-18(15)19)22(32)30(14)23-28-29-24(35-23)34-21(31)13-25-16-7-9-17(33-2)10-8-16/h3-12,25,32H,13H2,1-2H3/b15-11+
InChIKey
OSPLEAGAWBFVQC-RVDMUPIBSA-N
Compound name
S-[5-[5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(4-methoxyanilino)ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.10382 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.11110 213.4
[M+Na]+ 527.09304 226.6
[M+NH4]+ 522.13764 218.5
[M+K]+ 543.06698 221.9
[M-H]- 503.09654 218.3
[M+Na-2H]- 525.07849 220.2
[M]+ 504.10327 217.4
[M]- 504.10437 217.4
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.