CID 3004188

Nsc635531

Structural Information

Molecular Formula
C19H17ClN2O2S
SMILES
CC(C)C1=CC=CC=C1NC(=O)/C(=C\2/C(=O)NC3=CC=CC=C3S2)/Cl
InChI
InChI=1S/C19H17ClN2O2S/c1-11(2)12-7-3-4-8-13(12)21-18(23)16(20)17-19(24)22-14-9-5-6-10-15(14)25-17/h3-11H,1-2H3,(H,21,23)(H,22,24)/b17-16+
InChIKey
UJCGRLYBRZEXSH-WUKNDPDISA-N
Compound name
(2E)-2-chloro-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06992 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07720 182.2
[M+Na]+ 395.05914 188.0
[M-H]- 371.06264 186.4
[M+NH4]+ 390.10374 194.2
[M+K]+ 411.03308 180.7
[M+H-H2O]+ 355.06718 175.3
[M+HCOO]- 417.06812 188.5
[M+CH3COO]- 431.08377 214.4
[M+Na-2H]- 393.04459 181.5
[M]+ 372.06937 181.8
[M]- 372.07047 181.8
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.