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 232.8
[M+Na]+ 584.22616 238.1
[M-H]- 560.22966 239.1
[M+NH4]+ 579.27076 235.5
[M+K]+ 600.20010 236.6
[M+H-H2O]+ 544.23420 223.1
[M+HCOO]- 606.23514 246.2
[M+CH3COO]- 620.25079 265.1
[M+Na-2H]- 582.21161 231.9
[M]+ 561.23639 245.7
[M]- 561.23749 245.7
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.