CID 366119

Nsc634406

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C
InChI
InChI=1S/C18H18N2O3S/c1-11-7-8-13(9-12(11)2)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)24(16)23/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
AVEZFKOVNPWMRE-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10382 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.111096 177.2
[M+Na]+ 365.093038 184.8
[M-H]- 341.096544 182.0
[M+NH4]+ 360.137643 190.0
[M+K]+ 381.066978 178.5
[M+H-H2O]+ 325.101080 169.2
[M+HCOO]- 387.102021 190.2
[M+CH3COO]- 401.117671 211.6
[M+Na-2H]- 363.078486 177.9
[M]+ 342.10327142 177.4
[M]- 342.10436858 177.4
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.