CID 366112

Nsc634399

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C
InChI
InChI=1S/C18H18N2O3S/c1-11-7-8-13(12(2)9-11)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
BUNHENLRGZALHQ-UHFFFAOYSA-N
Compound name
N-(2,4-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]+ 343.11110 177.2
[M+Na]+ 365.09304 184.8
[M-H]- 341.09654 182.0
[M+NH4]+ 360.13764 190.0
[M+K]+ 381.06698 178.5
[M+H-H2O]+ 325.10108 169.2
[M+HCOO]- 387.10202 190.2
[M+CH3COO]- 401.11767 211.6
[M+Na-2H]- 363.07849 177.9
[M]+ 342.10327 177.4
[M]- 342.10437 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.