CID 132344122

2137584-70-2

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CS(=N)(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C8H10N2OS/c9-12(11)6-5-10-7-3-1-2-4-8(7)12/h1-4,9-10H,5-6H2
InChIKey
RBNXTXAPTCRZAN-UHFFFAOYSA-N
Compound name
1-imino-3,4-dihydro-2H-1lambda6,4-benzothiazine 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 132.7
[M+Na]+ 205.040608 141.3
[M-H]- 181.044114 134.5
[M+NH4]+ 200.085213 153.9
[M+K]+ 221.014548 136.8
[M+H-H2O]+ 165.048650 127.3
[M+HCOO]- 227.049591 148.2
[M+CH3COO]- 241.065241 145.3
[M+Na-2H]- 203.026056 140.4
[M]+ 182.05084142 129.3
[M]- 182.05193858 129.3
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.