CID 1864852

566144-84-1

Structural Information

Molecular Formula
C24H21N5OS3
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CS5
InChI
InChI=1S/C24H21N5OS3/c1-3-29-22(19-5-4-12-31-19)27-28-24(29)32-14-21(30)25-17-9-7-16(8-10-17)23-26-18-11-6-15(2)13-20(18)33-23/h4-13H,3,14H2,1-2H3,(H,25,30)
InChIKey
QVNHWQIBBFGYOY-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.09082 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.09810 204.3
[M+Na]+ 514.08004 218.9
[M+NH4]+ 509.12464 212.0
[M+K]+ 530.05398 210.3
[M-H]- 490.08354 211.5
[M+Na-2H]- 512.06549 212.8
[M]+ 491.09027 209.9
[M]- 491.09137 209.9
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.