CID 320574

Nsc268680

Structural Information

Molecular Formula
C14H18N2O4S
SMILES
CCN(CC)C(=O)C1(C(=O)C2=CC=CC=C2S(=O)(=O)N1)C
InChI
InChI=1S/C14H18N2O4S/c1-4-16(5-2)13(18)14(3)12(17)10-8-6-7-9-11(10)21(19,20)15-14/h6-9,15H,4-5H2,1-3H3
InChIKey
NZXZTNFAVIPLJD-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methyl-1,1,4-trioxo-2H-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09872 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.105996 163.7
[M+Na]+ 333.087938 171.9
[M-H]- 309.091444 166.7
[M+NH4]+ 328.132543 182.3
[M+K]+ 349.061878 169.2
[M+H-H2O]+ 293.095980 158.4
[M+HCOO]- 355.096921 177.4
[M+CH3COO]- 369.112571 204.9
[M+Na-2H]- 331.073386 168.0
[M]+ 310.09817142 167.3
[M]- 310.09926858 167.3
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.