CID 366855

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

Structural Information

Molecular Formula
C16H13N3O4S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C16H13N3O4S/c20-15(17-10-5-1-3-7-12(10)19(22)23)9-14-16(21)18-11-6-2-4-8-13(11)24-14/h1-8,14H,9H2,(H,17,20)(H,18,21)
InChIKey
PYPLLNCCLNXPDB-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

343.06268 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06996 171.1
[M+Na]+ 366.05190 175.2
[M-H]- 342.05540 175.2
[M+NH4]+ 361.09650 181.9
[M+K]+ 382.02584 165.6
[M+H-H2O]+ 326.05994 167.1
[M+HCOO]- 388.06088 185.4
[M+CH3COO]- 402.07653 202.6
[M+Na-2H]- 364.03735 176.5
[M]+ 343.06213 167.2
[M]- 343.06323 167.2
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.