CID 6474782

(e)-n-[3-[3-(2,3-dimethylimidazo[2,1-b]thiazol-5-yl)-3-hydroxy-1-propenyl]phenyl-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C23H23N3O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)/C=C/C(C3=CN=C4N3C(=C(S4)C)C)O
InChI
InChI=1S/C23H23N3O3S2/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/h4-14,22,25,27H,1-3H3/b12-9+
InChIKey
FBVGDSRYRJRFLI-FMIVXFBMSA-N
Compound name
N-[3-[(E)-3-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-hydroxyprop-1-enyl]phenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.11807 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.12535 209.2
[M+Na]+ 476.10729 219.5
[M-H]- 452.11079 217.5
[M+NH4]+ 471.15189 220.5
[M+K]+ 492.08123 211.8
[M+H-H2O]+ 436.11533 203.0
[M+HCOO]- 498.11627 220.3
[M+CH3COO]- 512.13192 218.3
[M+Na-2H]- 474.09274 207.4
[M]+ 453.11752 216.0
[M]- 453.11862 216.0
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.