CID 3064779

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

Structural Information

Molecular Formula
C15H17NO7S
SMILES
CCCOC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C
InChI
InChI=1S/C15H17NO7S/c1-3-6-22-11-4-5-13(24(20,21)16-8-14(18)19)10-7-12(9(2)17)23-15(10)11/h4-5,7,16H,3,6,8H2,1-2H3,(H,18,19)
InChIKey
KPCQMJIDZGEBKW-UHFFFAOYSA-N
Compound name
2-[(2-acetyl-7-propoxy-1-benzofuran-4-yl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

355.07257 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07985 179.0
[M+Na]+ 378.06179 187.0
[M+NH4]+ 373.10639 182.7
[M+K]+ 394.03573 184.9
[M-H]- 354.06529 178.2
[M+Na-2H]- 376.04724 179.6
[M]+ 355.07202 179.9
[M]- 355.07312 179.9
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