CID 2802738

N-benzyl-2-(3-oxo-4h-1,4-benzothiazin-2-yl)acetamide

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
C1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C17H16N2O2S/c20-16(18-11-12-6-2-1-3-7-12)10-15-17(21)19-13-8-4-5-9-14(13)22-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)
InChIKey
JEUQSVWLOPCDJW-UHFFFAOYSA-N
Compound name
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

312.09326 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.100536 168.8
[M+Na]+ 335.082478 174.4
[M-H]- 311.085984 172.7
[M+NH4]+ 330.127083 182.1
[M+K]+ 351.056418 168.0
[M+H-H2O]+ 295.090520 160.6
[M+HCOO]- 357.091461 182.1
[M+CH3COO]- 371.107111 178.1
[M+Na-2H]- 333.067926 172.0
[M]+ 312.09271142 166.7
[M]- 312.09380858 166.7
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