CID 467132

N-[2-[3-(2,3-dimethylimidazo[2,1-b]thiazol-5-yl)-3-hydroxy-propyl]phenyl-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C24H27N3O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)CCC(C3=CN=C4N3C(=C(S4)C)C)O)C
InChI
InChI=1S/C24H27N3O3S2/c1-15-5-10-20(11-6-15)32(29,30)26-21-13-19(8-7-16(21)2)9-12-23(28)22-14-25-24-27(22)17(3)18(4)31-24/h5-8,10-11,13-14,23,26,28H,9,12H2,1-4H3
InChIKey
MAGPUYYGXSRKRM-UHFFFAOYSA-N
Compound name
N-[5-[3-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-hydroxypropyl]-2-methylphenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.14938 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.15666 213.0
[M+Na]+ 492.13860 223.1
[M-H]- 468.14210 221.5
[M+NH4]+ 487.18320 224.0
[M+K]+ 508.11254 215.9
[M+H-H2O]+ 452.14664 206.8
[M+HCOO]- 514.14758 223.5
[M+CH3COO]- 528.16323 221.9
[M+Na-2H]- 490.12405 210.4
[M]+ 469.14883 221.3
[M]- 469.14993 221.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.