CID 1985708

575458-89-8

Structural Information

Molecular Formula
C24H21N5O2S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CO5
InChI
InChI=1S/C24H21N5O2S2/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
QRYRHLPHANFOSM-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-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

475.11368 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.12096 206.1
[M+Na]+ 498.10290 221.4
[M+NH4]+ 493.14750 213.0
[M+K]+ 514.07684 215.4
[M-H]- 474.10640 214.1
[M+Na-2H]- 496.08835 214.5
[M]+ 475.11313 211.6
[M]- 475.11423 211.6
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.