CID 9822972

2-(4-isobutylphenyl)-n-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulphonamide

Structural Information

Molecular Formula
C21H24N4O3S
SMILES
CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)CC(C)C
InChI
InChI=1S/C21H24N4O3S/c1-14(2)12-16-7-9-17(10-8-16)19-18(6-5-11-22-19)29(26,27)25-20-21(28-4)24-15(3)13-23-20/h5-11,13-14H,12H2,1-4H3,(H,23,25)
InChIKey
ZIHUYLTUNRKZAQ-UHFFFAOYSA-N
Compound name
N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

412.15692 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16420 197.4
[M+Na]+ 435.14614 211.6
[M+NH4]+ 430.19074 202.6
[M+K]+ 451.12008 203.3
[M-H]- 411.14964 201.5
[M+Na-2H]- 433.13159 206.4
[M]+ 412.15637 201.1
[M]- 412.15747 201.1
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