CID 208255

Brn 0667592

Structural Information

Molecular Formula
C15H13NO3S
SMILES
C1C2=CC=CC=C2C(=O)N(S1(=O)=O)CC3=CC=CC=C3
InChI
InChI=1S/C15H13NO3S/c17-15-14-9-5-4-8-13(14)11-20(18,19)16(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
XUERUNOIASVRRR-UHFFFAOYSA-N
Compound name
3-benzyl-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0616 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06888 161.1
[M+Na]+ 310.05082 171.1
[M-H]- 286.05432 167.6
[M+NH4]+ 305.09542 178.8
[M+K]+ 326.02476 166.0
[M+H-H2O]+ 270.05886 153.4
[M+HCOO]- 332.05980 176.9
[M+CH3COO]- 346.07545 173.2
[M+Na-2H]- 308.03627 166.4
[M]+ 287.06105 163.0
[M]- 287.06215 163.0
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.