CID 10781314

301538-65-8

Structural Information

Molecular Formula
C17H13NO5
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)OCC(=O)O)N
InChI
InChI=1S/C17H13NO5/c18-15-12-3-1-2-4-13(12)23-17(15)16(21)10-5-7-11(8-6-10)22-9-14(19)20/h1-8H,9,18H2,(H,19,20)
InChIKey
MOLLUFQVIBRAMA-UHFFFAOYSA-N
Compound name
2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.086656 168.6
[M+Na]+ 334.068598 176.9
[M-H]- 310.072104 176.2
[M+NH4]+ 329.113203 183.2
[M+K]+ 350.042538 174.6
[M+H-H2O]+ 294.076640 161.4
[M+HCOO]- 356.077581 191.2
[M+CH3COO]- 370.093231 204.8
[M+Na-2H]- 332.054046 171.9
[M]+ 311.07883142 172.5
[M]- 311.07992858 172.5
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

No patent data available for this compound.