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]+ 311.10600 163.7
[M+Na]+ 333.08794 171.9
[M-H]- 309.09144 166.7
[M+NH4]+ 328.13254 182.3
[M+K]+ 349.06188 169.2
[M+H-H2O]+ 293.09598 158.4
[M+HCOO]- 355.09692 177.4
[M+CH3COO]- 369.11257 204.9
[M+Na-2H]- 331.07339 168.0
[M]+ 310.09817 167.3
[M]- 310.09927 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.