CID 155293252

Ns00073802

Structural Information

Molecular Formula
C15H21NO6
SMILES
C[C@H](CNC(=O)C1=CC=CC=C1OCC(=O)O)OCCOC
InChI
InChI=1S/C15H21NO6/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18/h3-6,11H,7-10H2,1-2H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
WYJHRLHSDNUECQ-LLVKDONJSA-N
Compound name
2-[2-[[(2R)-2-(2-methoxyethoxy)propyl]carbamoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1369 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.144176 171.2
[M+Na]+ 334.126118 174.9
[M-H]- 310.129624 172.6
[M+NH4]+ 329.170723 184.3
[M+K]+ 350.100058 174.5
[M+H-H2O]+ 294.134160 163.5
[M+HCOO]- 356.135101 191.9
[M+CH3COO]- 370.150751 205.7
[M+Na-2H]- 332.111566 171.9
[M]+ 311.13635142 176.2
[M]- 311.13744858 176.2
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.