CID 9656124

303107-27-9

Structural Information

Molecular Formula
C24H28N6OS2
SMILES
CCNC(=S)/C=N/NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C24H28N6OS2/c1-5-25-21(32)15-26-27-20(31)16-33-23-29-28-22(30(23)19-9-7-6-8-10-19)17-11-13-18(14-12-17)24(2,3)4/h6-15H,5,16H2,1-4H3,(H,25,32)(H,27,31)/b26-15+
InChIKey
TZMKBESBYLOTAC-CVKSISIWSA-N
Compound name
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(ethylamino)-2-sulfanylideneethylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1766 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.18388 212.3
[M+Na]+ 503.16582 221.5
[M+NH4]+ 498.21042 217.0
[M+K]+ 519.13976 213.2
[M-H]- 479.16932 216.8
[M+Na-2H]- 501.15127 219.2
[M]+ 480.17605 215.5
[M]- 480.17715 215.5
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.