CID 467131

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

Structural Information

Molecular Formula
C23H25N3O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CCC(C3=CN=C4N3C(=C(S4)C)C)O
InChI
InChI=1S/C23H25N3O3S2/c1-15-7-10-20(11-8-15)31(28,29)25-19-6-4-5-18(13-19)9-12-22(27)21-14-24-23-26(21)16(2)17(3)30-23/h4-8,10-11,13-14,22,25,27H,9,12H2,1-3H3
InChIKey
QIIKOXCKHZUAHT-UHFFFAOYSA-N
Compound name
N-[3-[3-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-hydroxypropyl]phenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.13373 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.14101 208.6
[M+Na]+ 478.12295 218.6
[M-H]- 454.12645 217.0
[M+NH4]+ 473.16755 220.0
[M+K]+ 494.09689 211.5
[M+H-H2O]+ 438.13099 202.4
[M+HCOO]- 500.13193 219.6
[M+CH3COO]- 514.14758 217.7
[M+Na-2H]- 476.10840 207.0
[M]+ 455.13318 216.2
[M]- 455.13428 216.2
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.