CID 366109

N-(3-chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetamide

Structural Information

Molecular Formula
C17H15ClN2O2S
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)
InChIKey
INZRHQMESLKTEV-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

346.0543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06158 175.3
[M+Na]+ 369.04352 183.2
[M-H]- 345.04702 180.0
[M+NH4]+ 364.08812 188.8
[M+K]+ 385.01746 175.7
[M+H-H2O]+ 329.05156 168.4
[M+HCOO]- 391.05250 184.0
[M+CH3COO]- 405.06815 185.0
[M+Na-2H]- 367.02897 176.7
[M]+ 346.05375 176.3
[M]- 346.05485 176.3
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

patents stripe