CID 9981404

Empa

Structural Information

Molecular Formula
C23H26N4O4S
SMILES
CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C
InChI
InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3
InChIKey
KJPHTXTWFHVJIG-UHFFFAOYSA-N
Compound name
N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2374
Patents

454.16748 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17476 203.4
[M+Na]+ 477.15670 215.2
[M+NH4]+ 472.20130 208.2
[M+K]+ 493.13064 208.0
[M-H]- 453.16020 208.2
[M+Na-2H]- 475.14215 213.0
[M]+ 454.16693 206.8
[M]- 454.16803 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe