CID 9979144

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

Structural Information

Molecular Formula
C21H20ClN3O2S
SMILES
CN1C(=O)CSC2=C1C=C(C=C2)C(CN3C=CN=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H20ClN3O2S/c1-24-18-10-16(4-7-20(18)28-13-21(24)26)19(11-25-9-8-23-14-25)27-12-15-2-5-17(22)6-3-15/h2-10,14,19H,11-13H2,1H3
InChIKey
GZHAMCDFZVUZDS-UHFFFAOYSA-N
Compound name
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

413.09647 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.10375 196.1
[M+Na]+ 436.08569 204.7
[M-H]- 412.08919 202.6
[M+NH4]+ 431.13029 206.5
[M+K]+ 452.05963 197.4
[M+H-H2O]+ 396.09373 186.3
[M+HCOO]- 458.09467 203.3
[M+CH3COO]- 472.11032 204.8
[M+Na-2H]- 434.07114 194.2
[M]+ 413.09592 200.8
[M]- 413.09702 200.8
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.