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 177.7
[M+Na]+ 378.06179 185.6
[M-H]- 354.06529 182.2
[M+NH4]+ 373.10639 191.5
[M+K]+ 394.03573 184.2
[M+H-H2O]+ 338.06983 172.0
[M+HCOO]- 400.07077 194.1
[M+CH3COO]- 414.08642 210.4
[M+Na-2H]- 376.04724 180.6
[M]+ 355.07202 187.5
[M]- 355.07312 187.5
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