CID 3064771

Glycine, n-((2-acetyl-7-(2-oxopropoxy)-4-benzofuranyl)sulfonyl)-

Structural Information

Molecular Formula
C15H15NO8S
SMILES
CC(=O)COC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C
InChI
InChI=1S/C15H15NO8S/c1-8(17)7-23-11-3-4-13(25(21,22)16-6-14(19)20)10-5-12(9(2)18)24-15(10)11/h3-5,16H,6-7H2,1-2H3,(H,19,20)
InChIKey
NDMHCPSHTGCEPH-UHFFFAOYSA-N
Compound name
2-[[2-acetyl-7-(2-oxopropoxy)-1-benzofuran-4-yl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

369.05185 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05913 180.2
[M+Na]+ 392.04107 187.3
[M+NH4]+ 387.08567 182.9
[M+K]+ 408.01501 186.6
[M-H]- 368.04457 178.4
[M+Na-2H]- 390.02652 180.2
[M]+ 369.05130 180.6
[M]- 369.05240 180.6
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