CID 3009727

2h-1,4-benzothiazin-3(4h)-one, 7-[1-[(2,4-dichlorophenyl)methoxy]-2-(1h-imidazol-1-yl)ethyl]-4-methyl-

Structural Information

Molecular Formula
C21H19Cl2N3O2S
SMILES
CN1C(=O)CSC2=C1C=CC(=C2)C(CN3C=CN=C3)OCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H19Cl2N3O2S/c1-25-18-5-3-14(8-20(18)29-12-21(25)27)19(10-26-7-6-24-13-26)28-11-15-2-4-16(22)9-17(15)23/h2-9,13,19H,10-12H2,1H3
InChIKey
YBRNHPRYZDXJKY-UHFFFAOYSA-N
Compound name
7-[1-[(2,4-dichlorophenyl)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

447.0575 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.06478 201.2
[M+Na]+ 470.04672 210.7
[M-H]- 446.05022 207.3
[M+NH4]+ 465.09132 211.0
[M+K]+ 486.02066 203.0
[M+H-H2O]+ 430.05476 191.9
[M+HCOO]- 492.05570 203.3
[M+CH3COO]- 506.07135 209.4
[M+Na-2H]- 468.03217 198.0
[M]+ 447.05695 207.4
[M]- 447.05805 207.4
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.