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 178.9
[M+Na]+ 392.04107 186.3
[M-H]- 368.04457 183.4
[M+NH4]+ 387.08567 191.7
[M+K]+ 408.01501 185.7
[M+H-H2O]+ 352.04911 173.4
[M+HCOO]- 414.05005 194.7
[M+CH3COO]- 428.06570 213.0
[M+Na-2H]- 390.02652 181.3
[M]+ 369.05130 188.9
[M]- 369.05240 188.9
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