CID 366126

Nsc634413

Structural Information

Molecular Formula
C18H18N2O4S
SMILES
CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C
InChI
InChI=1S/C18H18N2O4S/c1-11-7-8-13(9-12(11)2)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)25(16,23)24/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
TYKMYTNMJZZHHO-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09872 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10600 179.2
[M+Na]+ 381.08794 187.7
[M-H]- 357.09144 184.1
[M+NH4]+ 376.13254 193.1
[M+K]+ 397.06188 181.9
[M+H-H2O]+ 341.09598 171.6
[M+HCOO]- 403.09692 192.5
[M+CH3COO]- 417.11257 212.7
[M+Na-2H]- 379.07339 181.6
[M]+ 358.09817 180.6
[M]- 358.09927 180.6
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.