CID 474580

1-butyl-1-oxo-4h-1.lamda.6-benzo[1,2,4]thiadiazin-3-one

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CCCCS1(=NC(=O)NC2=CC=CC=C21)=O
InChI
InChI=1S/C11H14N2O2S/c1-2-3-8-16(15)10-7-5-4-6-9(10)12-11(14)13-16/h4-7H,2-3,8H2,1H3,(H,12,13,14,15)
InChIKey
LSWQJNXRXAKLCB-UHFFFAOYSA-N
Compound name
2-butyl-2-oxo-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.0776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 148.8
[M+Na]+ 261.06682 158.7
[M-H]- 237.07032 149.5
[M+NH4]+ 256.11142 167.0
[M+K]+ 277.04076 153.8
[M+H-H2O]+ 221.07486 142.3
[M+HCOO]- 283.07580 162.7
[M+CH3COO]- 297.09145 186.1
[M+Na-2H]- 259.05227 154.7
[M]+ 238.07705 150.9
[M]- 238.07815 150.9
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.