CID 131751376

Semilepidinoside b

Structural Information

Molecular Formula
C17H22N2O7
SMILES
COC1=C(C=CC(=C1)CC2=NC=CN2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C17H22N2O7/c1-24-11-6-9(7-13-18-4-5-19-13)2-3-10(11)25-17-16(23)15(22)14(21)12(8-20)26-17/h2-6,12,14-17,20-23H,7-8H2,1H3,(H,18,19)
InChIKey
ASPNXCICLVYQCJ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

366.1427 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14998 183.2
[M+Na]+ 389.13192 188.6
[M-H]- 365.13542 185.0
[M+NH4]+ 384.17652 189.8
[M+K]+ 405.10586 185.5
[M+H-H2O]+ 349.13996 174.7
[M+HCOO]- 411.14090 194.4
[M+CH3COO]- 425.15655 205.0
[M+Na-2H]- 387.11737 181.3
[M]+ 366.14215 182.3
[M]- 366.14325 182.3
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.