CID 9931676

Way-123223

Structural Information

Molecular Formula
C21H25N3O4S
SMILES
CN(CC1=NC2=CC=CC=C2C=C1)CC(COC3=CC=C(C=C3)NS(=O)(=O)C)O
InChI
InChI=1S/C21H25N3O4S/c1-24(13-18-8-7-16-5-3-4-6-21(16)22-18)14-19(25)15-28-20-11-9-17(10-12-20)23-29(2,26)27/h3-12,19,23,25H,13-15H2,1-2H3
InChIKey
DOUINBOCIFSYBA-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propoxy]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

415.1566 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16388 194.7
[M+Na]+ 438.14582 205.4
[M+NH4]+ 433.19042 200.4
[M+K]+ 454.11976 198.0
[M-H]- 414.14932 198.1
[M+Na-2H]- 436.13127 201.7
[M]+ 415.15605 197.5
[M]- 415.15715 197.5
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