CID 135910026

Slx-2101

Structural Information

Molecular Formula
C25H35N7O6S
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)CC(=O)N(C)C(=O)CN(C)C)OCC)C
InChI
InChI=1S/C25H35N7O6S/c1-8-10-20-26-16(3)23-25(35)27-24(28-32(20)23)18-13-17(11-12-19(18)38-9-2)39(36,37)30(6)15-22(34)31(7)21(33)14-29(4)5/h11-13H,8-10,14-15H2,1-7H3,(H,27,28,35)
InChIKey
LNDPAVOZUUABGL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-[2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]acetyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.23694 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.24422 227.5
[M+Na]+ 584.22616 234.7
[M+NH4]+ 579.27076 227.6
[M+K]+ 600.20010 233.7
[M-H]- 560.22966 227.1
[M+Na-2H]- 582.21161 229.8
[M]+ 561.23639 228.2
[M]- 561.23749 228.2
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.