CID 366131

Nsc634418

Structural Information

Molecular Formula
C16H13ClN2O4S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13ClN2O4S/c17-10-4-3-5-11(8-10)18-15(20)9-14-16(21)19-12-6-1-2-7-13(12)24(14,22)23/h1-8,14H,9H2,(H,18,20)(H,19,21)
InChIKey
ADNPZYGKSDNZHO-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.02844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03572 175.5
[M+Na]+ 387.01766 184.8
[M-H]- 363.02116 180.6
[M+NH4]+ 382.06226 190.0
[M+K]+ 402.99160 178.1
[M+H-H2O]+ 347.02570 169.2
[M+HCOO]- 409.02664 185.3
[M+CH3COO]- 423.04229 209.1
[M+Na-2H]- 385.00311 179.3
[M]+ 364.02789 178.1
[M]- 364.02899 178.1
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.