CID 176472597

2,3-dihydroxy-4,5-bis(phenylmethoxy)pentanoic acid

Structural Information

Molecular Formula
C19H22O6
SMILES
C1=CC=C(C=C1)COCC(C(C(C(=O)O)O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H22O6/c20-17(18(21)19(22)23)16(25-12-15-9-5-2-6-10-15)13-24-11-14-7-3-1-4-8-14/h1-10,16-18,20-21H,11-13H2,(H,22,23)
InChIKey
QMRQHKCMUKPODX-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4,5-bis(phenylmethoxy)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.148906 181.0
[M+Na]+ 369.130848 182.3
[M-H]- 345.134354 182.3
[M+NH4]+ 364.175453 190.5
[M+K]+ 385.104788 180.2
[M+H-H2O]+ 329.138890 172.6
[M+HCOO]- 391.139831 196.4
[M+CH3COO]- 405.155481 204.8
[M+Na-2H]- 367.116296 180.3
[M]+ 346.14108142 181.5
[M]- 346.14217858 181.5
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.