CID 2767994

446276-14-8

Structural Information

Molecular Formula
C12H15NO4S
SMILES
C1CS(=O)(=O)CCN1C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO4S/c14-12(15)11(10-4-2-1-3-5-10)13-6-8-18(16,17)9-7-13/h1-5,11H,6-9H2,(H,14,15)
InChIKey
PTCRANCXVJYTOZ-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.07217 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 157.0
[M+Na]+ 292.06139 167.1
[M+NH4]+ 287.10599 165.0
[M+K]+ 308.03533 159.1
[M-H]- 268.06489 158.2
[M+Na-2H]- 290.04684 163.6
[M]+ 269.07162 159.1
[M]- 269.07272 159.1
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

patents stripe