CID 29899025

1102895-84-0

Structural Information

Molecular Formula
C14H13NO5
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=COC=C2)O
InChI
InChI=1S/C14H13NO5/c16-11-3-1-9(2-4-11)7-12(14(18)19)15-13(17)10-5-6-20-8-10/h1-6,8,12,16H,7H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKey
IZVSLAYMDNDPBA-LBPRGKRZSA-N
Compound name
(2S)-2-(furan-3-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.086656 161.1
[M+Na]+ 298.068598 166.0
[M-H]- 274.072104 165.9
[M+NH4]+ 293.113203 175.2
[M+K]+ 314.042538 164.8
[M+H-H2O]+ 258.076640 154.1
[M+HCOO]- 320.077581 181.7
[M+CH3COO]- 334.093231 194.2
[M+Na-2H]- 296.054046 162.8
[M]+ 275.07883142 161.3
[M]- 275.07992858 161.3
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.