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 157.1
[M+Na]+ 292.06139 162.8
[M-H]- 268.06489 160.5
[M+NH4]+ 287.10599 173.1
[M+K]+ 308.03533 159.9
[M+H-H2O]+ 252.06943 150.5
[M+HCOO]- 314.07037 169.3
[M+CH3COO]- 328.08602 189.3
[M+Na-2H]- 290.04684 158.8
[M]+ 269.07162 155.4
[M]- 269.07272 155.4
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