CID 448956

Chembl24097

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)
InChIKey
MPTWCWHNLVMCRW-UHFFFAOYSA-N
Compound name
N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

383.13037 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 188.4
[M+Na]+ 406.11959 194.5
[M-H]- 382.12309 196.4
[M+NH4]+ 401.16419 197.9
[M+K]+ 422.09353 188.3
[M+H-H2O]+ 366.12763 178.1
[M+HCOO]- 428.12857 207.1
[M+CH3COO]- 442.14422 219.7
[M+Na-2H]- 404.10504 194.2
[M]+ 383.12982 191.0
[M]- 383.13092 191.0
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