CID 369545

Nsc641406

Structural Information

Molecular Formula
C16H20N2O4S
SMILES
CCCCN(CC)C(=O)C(=O)C1C(=O)NC2=CC=CC=C2S1=O
InChI
InChI=1S/C16H20N2O4S/c1-3-5-10-18(4-2)16(21)13(19)14-15(20)17-11-8-6-7-9-12(11)23(14)22/h6-9,14H,3-5,10H2,1-2H3,(H,17,20)
InChIKey
KEQJNJMTNXUPGE-UHFFFAOYSA-N
Compound name
N-butyl-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-ethyl-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11438 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12166 174.9
[M+Na]+ 359.10360 180.1
[M-H]- 335.10710 177.1
[M+NH4]+ 354.14820 188.2
[M+K]+ 375.07754 176.6
[M+H-H2O]+ 319.11164 167.6
[M+HCOO]- 381.11258 187.0
[M+CH3COO]- 395.12823 212.5
[M+Na-2H]- 357.08905 173.9
[M]+ 336.11383 177.5
[M]- 336.11493 177.5
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.