CID 491942

5-(hydroxymethyl)-2-[2-(2-(2-pyridyl)ethyl)benzimidazolyl]oxolane-3,4-diol

Structural Information

Molecular Formula
C19H21N3O4
SMILES
C1=CC=C2C(=C1)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CCC4=CC=CC=N4
InChI
InChI=1S/C19H21N3O4/c23-11-15-17(24)18(25)19(26-15)22-14-7-2-1-6-13(14)21-16(22)9-8-12-5-3-4-10-20-12/h1-7,10,15,17-19,23-25H,8-9,11H2/t15-,17-,18-,19-/m1/s1
InChIKey
YQPBYWFMIOOFGS-NXWXRZEISA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-1-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 181.7
[M+Na]+ 378.14242 190.1
[M-H]- 354.14592 186.6
[M+NH4]+ 373.18702 191.8
[M+K]+ 394.11636 185.2
[M+H-H2O]+ 338.15046 173.1
[M+HCOO]- 400.15140 196.9
[M+CH3COO]- 414.16705 191.3
[M+Na-2H]- 376.12787 181.4
[M]+ 355.15265 183.4
[M]- 355.15375 183.4
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.