CID 365856

Nsc633930

Structural Information

Molecular Formula
C18H18N2O5S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C18H18N2O5S/c1-2-25-13-9-7-12(8-10-13)19-17(21)11-16-18(22)20-14-5-3-4-6-15(14)26(16,23)24/h3-10,16H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKey
FMLACWODVBIRRF-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-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

374.09363 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10091 182.1
[M+Na]+ 397.08285 189.5
[M-H]- 373.08635 186.6
[M+NH4]+ 392.12745 194.9
[M+K]+ 413.05679 184.3
[M+H-H2O]+ 357.09089 174.1
[M+HCOO]- 419.09183 195.7
[M+CH3COO]- 433.10748 213.7
[M+Na-2H]- 395.06830 185.5
[M]+ 374.09308 184.5
[M]- 374.09418 184.5
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.