CID 131751961

(s)-2-hydroxy-2-phenylacetonitrile o-[b-d-apiosyl-(1->2)-b-d-glucoside]

Structural Information

Molecular Formula
C19H25NO10
SMILES
C1C(C(C(O1)OC2C(C(C(OC2OC(C#N)C3=CC=CC=C3)CO)O)O)O)(CO)O
InChI
InChI=1S/C19H25NO10/c20-6-11(10-4-2-1-3-5-10)28-17-15(14(24)13(23)12(7-21)29-17)30-18-16(25)19(26,8-22)9-27-18/h1-5,11-18,21-26H,7-9H2
InChIKey
UXSSAGLYQCOTML-UHFFFAOYSA-N
Compound name
2-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14786 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15514 190.1
[M+Na]+ 450.13708 195.3
[M+NH4]+ 445.18168 190.1
[M+K]+ 466.11102 192.4
[M-H]- 426.14058 183.9
[M+Na-2H]- 448.12253 187.4
[M]+ 427.14731 187.7
[M]- 427.14841 187.7
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.