CID 366124

Nsc634411

Structural Information

Molecular Formula
C17H16N2O3S
SMILES
CC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C17H16N2O3S/c1-11-6-2-3-7-12(11)18-16(20)10-15-17(21)19-13-8-4-5-9-14(13)23(15)22/h2-9,15H,10H2,1H3,(H,18,20)(H,19,21)
InChIKey
RVFIOMHKARCXSS-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.08817 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09545 172.6
[M+Na]+ 351.07739 179.8
[M-H]- 327.08089 177.3
[M+NH4]+ 346.12199 185.7
[M+K]+ 367.05133 173.7
[M+H-H2O]+ 311.08543 164.6
[M+HCOO]- 373.08637 186.0
[M+CH3COO]- 387.10202 207.3
[M+Na-2H]- 349.06284 174.5
[M]+ 328.08762 172.0
[M]- 328.08872 172.0
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.