CID 15955640

2-butyl-6-[1-(4-chloro-benzyloxy)-2-imidazol-1-yl-ethyl]-4-methyl-4h-benzo[1,4]thiazin-3-one

Structural Information

Molecular Formula
C25H28ClN3O2S
SMILES
CCCCC1C(=O)N(C2=C(S1)C=CC(=C2)C(CN3C=CN=C3)OCC4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C25H28ClN3O2S/c1-3-4-5-24-25(30)28(2)21-14-19(8-11-23(21)32-24)22(15-29-13-12-27-17-29)31-16-18-6-9-20(26)10-7-18/h6-14,17,22,24H,3-5,15-16H2,1-2H3
InChIKey
KFGLTIFHVOUEMA-UHFFFAOYSA-N
Compound name
2-butyl-6-[1-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethyl]-4-methyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.1591 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16638 213.6
[M+Na]+ 492.14832 221.0
[M-H]- 468.15182 219.6
[M+NH4]+ 487.19292 221.9
[M+K]+ 508.12226 213.0
[M+H-H2O]+ 452.15636 203.2
[M+HCOO]- 514.15730 219.3
[M+CH3COO]- 528.17295 220.8
[M+Na-2H]- 490.13377 209.0
[M]+ 469.15855 219.9
[M]- 469.15965 219.9
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

No patent data available for this compound.