CID 366111

Nsc634398

Structural Information

Molecular Formula
C18H18N2O2S
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C18H18N2O2S/c1-11-7-8-12(2)14(9-11)19-17(21)10-16-18(22)20-13-5-3-4-6-15(13)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
NHJMZJXUSPDTJB-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

326.1089 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11618 174.1
[M+Na]+ 349.09812 180.9
[M-H]- 325.10162 178.6
[M+NH4]+ 344.14272 187.4
[M+K]+ 365.07206 174.4
[M+H-H2O]+ 309.10616 166.1
[M+HCOO]- 371.10710 186.9
[M+CH3COO]- 385.12275 183.6
[M+Na-2H]- 347.08357 175.3
[M]+ 326.10835 173.2
[M]- 326.10945 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.