CID 2870191

N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetamide

Structural Information

Molecular Formula
C19H17F3N2O2S
SMILES
CC1=C(C(=CC=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C
InChI
InChI=1S/C19H17F3N2O2S/c1-10-4-3-5-13(11(10)2)23-17(25)9-16-18(26)24-14-8-12(19(20,21)22)6-7-15(14)27-16/h3-8,16H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
JYPYKZZCZSBAJV-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.09628 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10356 188.3
[M+Na]+ 417.08550 195.9
[M-H]- 393.08900 188.9
[M+NH4]+ 412.13010 199.0
[M+K]+ 433.05944 188.5
[M+H-H2O]+ 377.09354 177.8
[M+HCOO]- 439.09448 195.9
[M+CH3COO]- 453.11013 220.6
[M+Na-2H]- 415.07095 187.6
[M]+ 394.09573 184.4
[M]- 394.09683 184.4
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.