CID 366106

Nsc634393

Structural Information

Molecular Formula
C16H14N2O3S
SMILES
C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C16H14N2O3S/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)22(14)21/h1-9,14H,10H2,(H,17,19)(H,18,20)
InChIKey
YQSBLURPJKRNCP-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0725 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07978 167.9
[M+Na]+ 337.06172 174.8
[M-H]- 313.06522 172.4
[M+NH4]+ 332.10632 181.2
[M+K]+ 353.03566 168.7
[M+H-H2O]+ 297.06976 159.9
[M+HCOO]- 359.07070 181.8
[M+CH3COO]- 373.08635 177.8
[M+Na-2H]- 335.04717 171.0
[M]+ 314.07195 166.6
[M]- 314.07305 166.6
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.