CID 15603282

Lp-261

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
COC1=NC=CC(=C1)C(=O)C2=CC(=CC(=C2)C3=C4C=CNC4=CC=C3)NS(=O)(=O)C
InChI
InChI=1S/C22H19N3O4S/c1-29-21-13-14(6-8-24-21)22(26)16-10-15(11-17(12-16)25-30(2,27)28)18-4-3-5-20-19(18)7-9-23-20/h3-13,23,25H,1-2H3
InChIKey
YUVDELGTFILMBB-UHFFFAOYSA-N
Compound name
N-[3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

421.10962 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 199.0
[M+Na]+ 444.09884 208.2
[M-H]- 420.10234 207.0
[M+NH4]+ 439.14344 208.4
[M+K]+ 460.07278 201.6
[M+H-H2O]+ 404.10688 190.1
[M+HCOO]- 466.10782 214.5
[M+CH3COO]- 480.12347 208.4
[M+Na-2H]- 442.08429 202.2
[M]+ 421.10907 204.0
[M]- 421.11017 204.0
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