CID 365332

Nsc632923

Structural Information

Molecular Formula
C16H13ClN2O3S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13ClN2O3S/c17-10-4-3-5-11(8-10)18-15(20)9-14-16(21)19-12-6-1-2-7-13(12)23(14)22/h1-8,14H,9H2,(H,18,20)(H,19,21)
InChIKey
BEVBCVNDNQPJHA-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.03354 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.04082 173.6
[M+Na]+ 371.02276 182.0
[M-H]- 347.02626 178.5
[M+NH4]+ 366.06736 186.9
[M+K]+ 386.99670 174.8
[M+H-H2O]+ 331.03080 166.8
[M+HCOO]- 393.03174 183.0
[M+CH3COO]- 407.04739 183.5
[M+Na-2H]- 369.00821 175.7
[M]+ 348.03299 175.0
[M]- 348.03409 175.0
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.