CID 9824187

Schembl6636402

Structural Information

Molecular Formula
C22H19N5O3S
SMILES
CC1=C(N=CC=C1)C2=NC(=C3C(=C2)C=CC=N3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C22H19N5O3S/c1-14-5-3-11-23-20(14)19-13-16-6-4-12-24-21(16)22(26-19)27-31(29,30)18-9-7-17(8-10-18)25-15(2)28/h3-13H,1-2H3,(H,25,28)(H,26,27)
InChIKey
JQEFEHBLXUVNIM-UHFFFAOYSA-N
Compound name
N-[4-[[6-(3-methylpyridin-2-yl)-1,7-naphthyridin-8-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

433.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12813 201.8
[M+Na]+ 456.11007 209.8
[M-H]- 432.11357 208.7
[M+NH4]+ 451.15467 207.6
[M+K]+ 472.08401 202.6
[M+H-H2O]+ 416.11811 190.7
[M+HCOO]- 478.11905 215.8
[M+CH3COO]- 492.13470 209.8
[M+Na-2H]- 454.09552 208.3
[M]+ 433.12030 204.3
[M]- 433.12140 204.3
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